Vitas-M small molecule compound
methyl 2-{2,5-dimethyl-3-[(Z)-(3-{2-[(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK155399
SMILES COC(=O)c1ccccc1n1c(C)cc(c1C)/C=C/1\SC(=O)N(C1=O)CC(=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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-16-8-7-9-20(12-16)28-24(31)15-29-25(32)23(36-27(29)34)14-19-13-17(2)30(18(19)3)22-11-6-5-10-21(22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14-InChIKey
PMFQDHFLPSSGRG-UCQKPKSFSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4C(=O)OC)C)SC2=O
COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)CC(=O)Nc1cccc(c1)C
InChI=1SC27H25N3O5Sc11687920(1216)2824(31)152925(32)23(3627(29)34)14191317(2)30(18(19)3)2211651021(22)26(33)354h514H15H214H3(H2831)b2314
METHYL2(25DIMETHYL3((3((N(3METHYLPHENYL)CARBAMOYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PYRROLYL)BENZOATE
METHYL2(25DIMETHYL3((Z)(3(2((3METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
methyl2(25dimethyl3((Z)(3(2(3methylanilino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)pyrrol1yl)benzoate
MFCD03649554
ZINC000004092148
ZINC04092148
ZINC4092148
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.