Vitas-M small molecule compound

4-({2-[(E)-(3-{2-[(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoic acid

Catalog ID
STK152653
SMILES O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(cc2)C(=O)O)/C1=O)Nc1cccc(c1)C

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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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-17-5-4-7-21(13-17)28-24(30)15-29-25(31)23(36-27(29)34)14-20-6-2-3-8-22(20)35-16-18-9-11-19(12-10-18)26(32)33/h2-14H,15-16H2,1H3,(H,28,30)(H,32,33)/b23-14+
InChIKey
INFFIAWKHWOFEN-OEAKJJBVSA-N
Synonyms

4((2((E)(3(2((3METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((E)(3(2(3METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)SC2=O
InChI=1SC27H22N2O6Sc11754721(1317)2824(30)152925(31)23(3627(29)34)1420623822(20)35161891119(121018)26(32)33h214H1516H21H3(H2830)(H3233)b2314+
MFCD04521120
O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C1=O)Nc1cccc(c1)C
ZINC000009260860
ZINC9260860

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Available files

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