Vitas-M small molecule compound
3-(2-{(E)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK039308
SMILES OC(=O)c1cccc(c1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1C
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 C23H17N3O4S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O4S/c1-14-6-2-3-10-19(14)26-21(28)18(20(27)24-23(26)31)13-17-9-5-11-25(17)16-8-4-7-15(12-16)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,31)/b18-13+InChIKey
NZZMKBBUWMSSOR-QGOAFFKASA-NSynonyms
(Z)3(2((46dioxo2thioxo1(otolyl)tetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
3(2((1(2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
3(2((E)(1(2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((E)(1(2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S
InChI=1SC23H17N3O4Sc1146231019(14)2621(28)18(20(27)2423(26)31)1317951125(17)1684715(1216)22(29)30h213H1H3(H2930)(H242731)b1813+
MFCD03784842
OC(=O)c1cccc(c1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1C
STK039308
ZINC000002399539
ZINC2399539
Check stock
See real-time availability and sample size for STK039308 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.