Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160083
SMILES C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)/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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c1-4-7-19-11(2)16(18(21)22-3)13(17(19)20)8-12-5-6-14-15(9-12)24-10-23-14/h4-6,8-9H,1,7,10H2,2-3H3/b13-8-InChIKey
QICQYDHYBAJOBF-JYRVWZFOSA-NSynonyms
C=CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=C1C)C(=O)OC
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CC=C)C(=O)OC
InChI=1SC18H17NO5c1471911(2)16(18(21)223)13(17(19)20)812561415(912)24102314h4689H1710H223H3b138
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(PROP2EN1YL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1PROP2ENYLPYRROLE3CARBOXYLATE
METHYL3(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)5METHYL2OXO1PROP2ENYLAZOLINE4CARBOXYLATE
MFCD03273729
ZINC000000120693
ZINC00120693
ZINC120693
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