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Vitas-M small molecule compound

methyl 2-{2,5-dimethyl-3-[(Z)-(3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoate

Catalog ID
STK153441
SMILES COC(=O)c1ccccc1n1c(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/c1-16-9-11-20(12-10-16)28-24(31)15-29-25(32)23(36-27(29)34)14-19-13-17(2)30(18(19)3)22-8-6-5-7-21(22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14-
InChIKey
DZGIYWNZDZUDAV-UCQKPKSFSA-N
Synonyms

CC1=CC=C(C=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)Nc1ccc(cc1)C
InChI=1SC27H25N3O5Sc11691120(121016)2824(31)152925(32)23(3627(29)34)14191317(2)30(18(19)3)22865721(22)26(33)354h514H15H214H3(H2831)b2314
METHYL2(25DIMETHYL3((3((N(4METHYLPHENYL)CARBAMOYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PYRROLYL)BENZOATE
METHYL2(25DIMETHYL3((Z)(3(2((4METHYLPHENYL)AMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
METHYL2(25DIMETHYL3((Z)(3(2(4METHYLANILINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL2(3((24DIOXO3(2OXO2(4TOLUIDINO)ETHYL)13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
MFCD03080965
ZINC000001008294
ZINC01008294
ZINC1008294

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Available files

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