Vitas-M small molecule compound
{4-[(Z)-(3-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STL376358
SMILES COc1cc(ccc1OCC(=O)O)/C=C/1\SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1F)F
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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 C21H16F2N2O7S MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F2N2O7S/c1-31-16-6-11(2-5-15(16)32-10-19(27)28)7-17-20(29)25(21(30)33-17)9-18(26)24-14-4-3-12(22)8-13(14)23/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b17-7-InChIKey
QTIFWXUSCQXUPZ-IDUWFGFVSA-NSynonyms
(4((Z)(3(2((24difluorophenyl)amino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((Z)(3(2(24DIFLUOROANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=C(C=C(C=C3)F)F)OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1F)F
InChI=1SC21H16F2N2O7Sc13116611(2515(16)321019(27)28)71720(29)25(21(30)3317)918(26)24144312(22)813(14)23h28H910H21H3(H2426)(H2728)b177
MFCD08087398
ZINC000021345378
ZINC21345378
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