Vitas-M small molecule compound
methyl 3-{2,5-dimethyl-3-[(E)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK153253
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-16-8-10-21(11-9-16)28-24(31)15-29-25(32)23(36-27(29)34)14-20-12-17(2)30(18(20)3)22-7-5-6-19(13-22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14+InChIKey
AYHVSSZPZHBECD-OEAKJJBVSA-NSynonyms
496767-83-0496767830
CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)OC)C)SC2=O
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)C
InChI=1SC27H25N3O5Sc11681021(11916)2824(31)152925(32)23(3627(29)34)14201217(2)30(18(20)3)2275619(1322)26(33)354h514H15H214H3(H2831)b2314+
METHYL3(25DIMETHYL3((3((N(4METHYLPHENYL)CARBAMOYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PYRROLYL)BENZOATE
METHYL3(25DIMETHYL3((E)(3(2((4METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
METHYL3(25DIMETHYL3((E)(3(2(4METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
MFCD02611733
ZINC000012447827
ZINC12447827
Check stock
See real-time availability and sample size for STK153253 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.