Vitas-M small molecule compound

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

Catalog ID
STL370034
SMILES O=C(CN1C(=O)S/C(=C\c2ccc(cc2)C(=O)O)/C1=O)Nc1ccc(c(c1)Cl)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 C20H15ClN2O5S MW 430.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O5S/c1-11-2-7-14(9-15(11)21)22-17(24)10-23-18(25)16(29-20(23)28)8-12-3-5-13(6-4-12)19(26)27/h2-9H,10H2,1H3,(H,22,24)(H,26,27)/b16-8-
InChIKey
OLQAGQFHLLZLJT-PXNMLYILSA-N
Synonyms

4((3(2(3CHLORO4METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((Z)(3(2((3chloro4methylphenyl)amino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)benzoicacid
4((Z)(3(2(3CHLORO4METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=O)Cl
InChI=1SC20H15ClN2O5Sc1112714(915(11)21)2217(24)102318(25)16(2920(23)28)8123513(6412)19(26)27h29H10H21H3(H2224)(H2627)b168
MFCD04090811
O=C(CN1C(=O)SC(=Cc2ccc(cc2)C(=O)O)C1=O)Nc1ccc(c(c1)Cl)C
ZINC000002144132
ZINC2144132

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Available files

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