Vitas-M small molecule compound
4-{2-[(Z)-(3-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK190270
SMILES O=C(CN1C(=O)S/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=O)Nc1ccc(cc1)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 C23H16FN3O5S MW 465.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16FN3O5S/c24-15-5-7-16(8-6-15)25-20(28)13-27-21(29)19(33-23(27)32)12-18-2-1-11-26(18)17-9-3-14(4-10-17)22(30)31/h1-12H,13H2,(H,25,28)(H,30,31)/b19-12-InChIKey
KKJFAXGSYKSEJR-UNOMPAQXSA-NSynonyms
4(2((Z)(3(2((4FLUOROPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
4(2((Z)(3(2(4fluoroanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)pyrrol1yl)benzoicacid
C1=CN(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)O
InChI=1SC23H16FN3O5Sc24155716(8615)2520(28)132721(29)19(3323(27)32)1218211126(18)179314(41017)22(30)31h112H13H2(H2528)(H3031)b1912
MFCD07115336
O=C(CN1C(=O)SC(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O)Nc1ccc(cc1)F
ZINC000016429981
ZINC16429981
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