Vitas-M small molecule compound

ethyl (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK108476
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(n(c2C)c2ccc(cc2)C)C)/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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-5-32-27(31)24-25(30)23(33-26(24)28-21-9-7-6-8-10-21)16-20-15-18(3)29(19(20)4)22-13-11-17(2)12-14-22/h6-16,28H,5H2,1-4H3/b23-16-
InChIKey
YHTOATKMPOQJQR-KQWNVCNZSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC27H26N2O3Sc153227(31)2425(30)23(3326(24)282197681021)16201518(3)29(19(20)4)22131117(2)121422h61628H5H214H3b2316
MFCD03031608
ZINC000009295824
ZINC09295824
ZINC9295824

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Available files

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