Vitas-M small molecule compound
4-[(4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK070885
SMILES COC(=O)CN1C(=O)S/C(=C/c2ccc(cc2)OCc2ccc(cc2)C(=O)O)/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 C21H17NO7S MW 427.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO7S/c1-28-18(23)11-22-19(24)17(30-21(22)27)10-13-4-8-16(9-5-13)29-12-14-2-6-15(7-3-14)20(25)26/h2-10H,11-12H2,1H3,(H,25,26)/b17-10+InChIKey
FXBIFFVGYDLBHA-LICLKQGHSA-NSynonyms
4((4((E)(3(2METHOXY2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC(=O)CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)SC1=O
COC(=O)CN1C(=O)SC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H17NO7Sc12818(23)112219(24)17(3021(22)27)10134816(9513)2912142615(7314)20(25)26h210H1112H21H3(H2526)b1710+
MFCD08051960
STK070885
ZINC000009635670
ZINC9635670
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