Vitas-M small molecule compound
methyl (4Z)-1-(3-chloro-4-methylphenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK013591
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)O)c1ccc(c(c1)Cl)C
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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 C21H18ClNO4 MW 383.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4/c1-12-4-7-15(11-18(12)22)23-13(2)19(21(26)27-3)17(20(23)25)10-14-5-8-16(24)9-6-14/h4-11,24H,1-3H3/b17-10-InChIKey
ABGLUVHOCIZBCZ-YVLHZVERSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=C(C(=CC3=CC=C(C=C3)O)C2=O)C(=O)OC)C)Cl
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)O)c1ccc(c(c1)Cl)C
InChI=1SC21H18ClNO4c1124715(1118(12)22)2313(2)19(21(26)273)17(20(23)25)10145816(24)9614h41124H13H3b1710
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4((4HYDROXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4(4HYDROXYBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03258771
STK013591
ZINC000004551728
ZINC04551728
ZINC4551728
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