Vitas-M small molecule compound
1,3-dimethyl-5-{2-[(3-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189987
SMILES S=C1N(C)C(=O)C(=Cc2ccccc2OCc2cccc(c2)[N+](=O)[O-])C(=O)N1C
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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-21-18(24)16(19(25)22(2)20(21)29)11-14-7-3-4-9-17(14)28-12-13-6-5-8-15(10-13)23(26)27/h3-11H,12H2,1-2H3InChIKey
IBCDQEAXTVQUKP-UHFFFAOYSA-NSynonyms
13DIMETHYL5((2((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5(2((3NITROBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC=C3)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC20H17N3O5Sc12118(24)16(19(25)22(2)20(21)29)1114734917(14)28121365815(1013)23(26)27h311H12H212H3
MFCD02780038
S=C1N(C)C(=O)C(=Cc2ccccc2OCc2cccc(c2)(N+)(=O)(O))C(=O)N1C
ZINC000004724054
ZINC04724054
ZINC4724054
Check stock
See real-time availability and sample size for STK189987 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.