Vitas-M small molecule compound
4-{2-[(E)-(3-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK155298
SMILES CCOc1ccc(cc1)NC(=O)CN1C(=O)S/C(=C/c2cccn2c2ccc(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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-2-34-20-11-7-17(8-12-20)26-22(29)15-28-23(30)21(35-25(28)33)14-19-4-3-13-27(19)18-9-5-16(6-10-18)24(31)32/h3-14H,2,15H2,1H3,(H,26,29)(H,31,32)/b21-14+InChIKey
QMLLLBIIWBFGNM-KGENOOAVSA-NSynonyms
4(2((E)(3(2((4ETHOXYPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
4(2((E)(3(2(4ETHOXYANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)SC2=O
CCOc1ccc(cc1)NC(=O)CN1C(=O)SC(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
InChI=1SC25H21N3O6Sc12342011717(81220)2622(29)152823(30)21(3525(28)33)1419431327(19)189516(61018)24(31)32h314H215H21H3(H2629)(H3132)b2114+
MFCD06663038
ZINC000030761552
ZINC30761552
Check stock
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Check stock on Vitas-MAvailable files
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