Vitas-M small molecule compound
2-(3-{(Z)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylic acid
Catalog ID
STK200963
SMILES COC(=O)CN1C(=O)S/C(=C\c2cc(n(c2C)c2sc(c(c2C(=O)O)C)C)C)/C1=O
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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 C20H20N2O6S2 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S2/c1-9-6-13(7-14-17(24)21(20(27)30-14)8-15(23)28-5)11(3)22(9)18-16(19(25)26)10(2)12(4)29-18/h6-7H,8H2,1-5H3,(H,25,26)/b14-7-InChIKey
OVBOPDIFSRVSJO-AUWJEWJLSA-NSynonyms
2(3((Z)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLICACID
2(3((Z)(3(2methoxy2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)45dimethylthiophene3carboxylicacid
CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)O)C)C=C3C(=O)N(C(=O)S3)CC(=O)OC
COC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2sc(c(c2C(=O)O)C)C)C)C1=O
InChI=1SC20H20N2O6S2c19613(71417(24)21(20(27)3014)815(23)285)11(3)22(9)1816(19(25)26)10(2)12(4)2918h67H8H215H3(H2526)b147
MFCD08671052
ZINC000009934867
ZINC9934867
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