Vitas-M small molecule compound
ethyl (5Z)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374740
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2cc(n(c2C)C2CCCCC2)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 C27H32N2O4S MW 480.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4S/c1-5-33-27(31)24-25(30)23(34-26(24)28-20-11-13-22(32-4)14-12-20)16-19-15-17(2)29(18(19)3)21-9-7-6-8-10-21/h11-16,21,28H,5-10H2,1-4H3/b23-16-InChIKey
USPONPGKISLWSV-KQWNVCNZSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3CCCCC3)C)C1=O)NC4=CC=C(C=C4)OC
ethyl(5Z)5((1cyclohexyl25dimethyl1Hpyrrol3yl)methylidene)2((4methoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC27H32N2O4Sc153327(31)2425(30)23(3426(24)2820111322(324)141220)16191517(2)29(18(19)3)2197681021h11162128H510H214H3b2316
MFCD02774556
ZINC000009295787
ZINC09295787
ZINC9295787
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