Vitas-M small molecule compound
ethyl (4Z)-4-(4-chlorobenzylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168319
SMILES C=CCN1C(=O)/C(=C\c2ccc(cc2)Cl)/C(=C1C)C(=O)OCC
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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 C18H18ClNO3 MW 331.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClNO3/c1-4-10-20-12(3)16(18(22)23-5-2)15(17(20)21)11-13-6-8-14(19)9-7-13/h4,6-9,11H,1,5,10H2,2-3H3/b15-11-InChIKey
SQGUHQSHUXAYNF-PTNGSMBKSA-NSynonyms
C=CCN1C(=O)C(=Cc2ccc(cc2)Cl)C(=C1C)C(=O)OCC
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)Cl)CC=C)C
ETHYL(4Z)4((4CHLOROPHENYL)METHYLIDENE)2METHYL5OXO1PROP2ENYLPYRROLE3CARBOXYLATE
ETHYL(4Z)4(4CHLOROBENZYLIDENE)2METHYL5OXO1(PROP2EN1YL)45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL1ALLYL4(4CHLOROBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC18H18ClNO3c14102012(3)16(18(22)2352)15(17(20)21)11136814(19)9713h46911H1510H223H3b1511
MFCD01153750
ZINC000014010476
ZINC14010476
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