Vitas-M small molecule compound
methyl (4Z)-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160437
SMILES COCCCN1C(=O)/C(=C\c2cc(n(c2C)c2c(C)cccc2C)C)/C(=C1C)C(=O)OC
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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 C26H32N2O4 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4/c1-16-10-8-11-17(2)24(16)28-18(3)14-21(19(28)4)15-22-23(26(30)32-7)20(5)27(25(22)29)12-9-13-31-6/h8,10-11,14-15H,9,12-13H2,1-7H3/b22-15-InChIKey
LTOCBFOAYABTNW-JCMHNJIXSA-NSynonyms
CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCCOC)C)C(=O)OC)C
COCCCN1C(=O)C(=Cc2cc(n(c2C)c2c(C)cccc2C)C)C(=C1C)C(=O)OC
InChI=1SC26H32N2O4c1161081117(2)24(16)2818(3)1421(19(28)4)152223(26(30)327)20(5)27(25(22)29)12913316h810111415H91213H217H3b2215
METHYL(4Z)4((1(26DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03270015
ZINC000002099212
ZINC02099212
ZINC2099212
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