Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK085342
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)C(c1ccccc1)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 C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c1-14(17-7-5-4-6-8-17)24-15(2)21(23(26)27-3)18(22(24)25)11-16-9-10-19-20(12-16)29-13-28-19/h4-12,14H,13H2,1-3H3/b18-11-InChIKey
FUSQRDHCDLAFKV-WQRHYEAKSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C(C)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)C(c1ccccc1)C
InChI=1SC23H21NO5c114(177546817)2415(2)21(23(26)273)18(22(24)25)11169101920(1216)29132819h41214H13H213H3b1811
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(1PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(1PHENYLETHYL)PYRROLE3CARBOXYLATE
MFCD03068175
STK085342
ZINC000004672700
ZINC000004672701
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