Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160828
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C21H16ClNO5 MW 397.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO5/c1-12-19(21(25)26-2)16(8-13-6-7-17-18(9-13)28-11-27-17)20(24)23(12)15-5-3-4-14(22)10-15/h3-10H,11H2,1-2H3/b16-8-InChIKey
PHUQUBXTAVKICK-PXNMLYILSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC(=CC=C4)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)c1cccc(c1)Cl
InChI=1SC21H16ClNO5c11219(21(25)262)16(813671718(913)28112717)20(24)23(12)1553414(22)1015h310H11H212H3b168
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(3CHLOROPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(3CHLOROPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03711399
ZINC000001161732
ZINC01161732
ZINC1161732
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