Vitas-M small molecule compound
methyl (4Z)-4-(3-bromobenzylidene)-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK698692
SMILES C=CCN1C(=O)/C(=C\c2cccc(c2)Br)/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 C17H16BrNO3 MW 362.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO3/c1-4-8-19-11(2)15(17(21)22-3)14(16(19)20)10-12-6-5-7-13(18)9-12/h4-7,9-10H,1,8H2,2-3H3/b14-10-InChIKey
KREXLNNZGTWYOU-UVTDQMKNSA-NSynonyms
(Z)methyl1allyl4(3bromobenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
C=CCN1C(=O)C(=Cc2cccc(c2)Br)C(=C1C)C(=O)OC
CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1CC=C)C(=O)OC
InChI=1SC17H16BrNO3c1481911(2)15(17(21)223)14(16(19)20)101265713(18)912h47910H18H223H3b1410
METHYL(4Z)4((3BROMOPHENYL)METHYLIDENE)2METHYL5OXO1PROP2ENYLPYRROLE3CARBOXYLATE
methyl(4Z)4(3bromobenzylidene)2methyl5oxo1(prop2en1yl)45dihydro1Hpyrrole3carboxylate
MFCD01060942
ZINC000000657033
ZINC00657033
ZINC657033
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