Vitas-M small molecule compound
methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK837916
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc2OCOc2cc1Br)c1cccc(c1)Cl
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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 C21H15BrClNO5 MW 476.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrClNO5/c1-11-19(21(26)27-2)15(20(25)24(11)14-5-3-4-13(23)8-14)6-12-7-17-18(9-16(12)22)29-10-28-17/h3-9H,10H2,1-2H3/b15-6-InChIKey
DKLLCDOIGWYWNH-UUASQNMZSA-NSynonyms
(Z)methyl4((6bromobenzo(d)(13)dioxol5yl)methylene)1(3chlorophenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1C4=CC(=CC=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc2OCOc2cc1Br)c1cccc(c1)Cl
InChI=1SC21H15BrClNO5c11119(21(26)272)15(20(25)24(11)1453413(23)814)61271718(916(12)22)29102817h39H10H212H3b156
methyl(4Z)4((6bromo13benzodioxol5yl)methylidene)1(3chlorophenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(3CHLOROPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((6BROMO13BENZODIOXOL5YL)METHYLENE)1(3CHLOROPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01964158
ZINC000000726219
ZINC00726219
ZINC726219
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