VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

(5E)-5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-1-phenyl-3-propyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK199850
SMILES CCCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)[N+](=O)[O-])C)/C(=O)N(C1=S)c1ccccc1

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H27N5O5S MW 581.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O5S/c1-4-16-33-29(37)27(30(38)35(31(33)42)23-8-6-5-7-9-23)18-22-17-20(2)34(21(22)3)24-10-13-26(14-11-24)41-28-15-12-25(19-32-28)36(39)40/h5-15,17-19H,4,16H2,1-3H3/b27-18+
InChIKey
MMHDLUUGWGHUKI-OVVQPSECSA-N
Synonyms

(5E)5((25DIMETHYL1(4((5NITROPYRIDIN2YL)OXY)PHENYL)1HPYRROL3YL)METHYLIDENE)1PHENYL3PROPYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4(5NITROPYRIDIN2YL)OXYPHENYL)PYRROL3YL)METHYLIDENE)1PHENYL3PROPYL2SULFANYLIDENE13DIAZINANE46DIONE
5((1(4((5NITROPYRIDIN2YL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1PHENYL3PROPYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC4=NC=C(C=C4)(N+)(=O)(O))C)C(=O)N(C1=S)C5=CC=CC=C5
CCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)(N+)(=O)(O))C)C(=O)N(C1=S)c1ccccc1
InChI=1SC31H27N5O5Sc14163329(37)27(30(38)35(31(33)42)238657923)18221720(2)34(21(22)3)24101326(141124)4128151225(193228)36(39)40h5151719H416H213H3b2718+
MFCD03697145
ZINC000008396171
ZINC08396171
ZINC8396171

Check stock

See real-time availability and sample size for STK199850 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS