Vitas-M small molecule compound
2-(3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK188243
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccccc2C(=O)O)C)/C1=O
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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-4-9-23-19(26)16(18(25)22-21(23)29)11-14-10-12(2)24(13(14)3)17-8-6-5-7-15(17)20(27)28/h4-8,10-11H,1,9H2,2-3H3,(H,27,28)(H,22,25,29)/b16-11+InChIKey
SSCWIMLGLPYALZ-LFIBNONCSA-NSynonyms
2(3((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2(3((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2C(=O)O)C)C1=O
CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC21H19N3O4Sc1492319(26)16(18(25)2221(23)29)11141012(2)24(13(14)3)17865715(17)20(27)28h481011H19H223H3(H2728)(H222529)b1611+
MFCD03248975
ZINC000004711434
ZINC4711434
Check stock
See real-time availability and sample size for STK188243 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.