Vitas-M small molecule compound
4-[(Z)-{3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]benzoic acid
Catalog ID
STK112430
SMILES O=C(CN1C(=O)S/C(=C\c2ccc(cc2)C(=O)O)/C1=O)Nc1ccc2c(c1)OCO2
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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 C20H14N2O7S MW 426.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O7S/c23-17(21-13-5-6-14-15(8-13)29-10-28-14)9-22-18(24)16(30-20(22)27)7-11-1-3-12(4-2-11)19(25)26/h1-8H,9-10H2,(H,21,23)(H,25,26)/b16-7-InChIKey
BKKWZLYGXDMPOW-APSNUPSMSA-NSynonyms
4((Z)(3(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C(=CC4=CC=C(C=C4)C(=O)O)SC3=O
InChI=1SC20H14N2O7Sc2317(2113561415(813)29102814)92218(24)16(3020(22)27)7111312(4211)19(25)26h18H910H2(H2123)(H2526)b167
MFCD04127185
O=C(CN1C(=O)SC(=Cc2ccc(cc2)C(=O)O)C1=O)Nc1ccc2c(c1)OCO2
ZINC000012469451
ZINC12469451
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