Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161486
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)OC)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 C21H21ClN2O4 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4/c1-11-8-14(9-16-19(21(26)28-5)12(2)23-20(16)25)13(3)24(11)15-6-7-18(27-4)17(22)10-15/h6-10H,1-5H3,(H,23,25)/b16-9-InChIKey
QIRFVSDSXQFPEO-SXGWCWSVSA-NSynonyms
CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)C=C3C(=C(NC3=O)C)C(=O)OC
COC(=O)C1=C(C)NC(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)OC)C
InChI=1SC21H21ClN2O4c111814(91619(21(26)285)12(2)2320(16)25)13(3)24(11)156718(274)17(22)1015h610H15H3(H2325)b169
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1HPYRROLE3CARBOXYLATE
MFCD03259019
ZINC000014009501
ZINC14009501
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