Vitas-M small molecule compound
methyl (5E)-5-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK037817
SMILES COC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccccc2C(=O)OC)C)/C1=O
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-12-10-15(11-17-20(25)19(13(2)23-17)22(27)29-5)14(3)24(12)18-9-7-6-8-16(18)21(26)28-4/h6-11,23H,1-5H3/b17-11+InChIKey
QMRNXDPOQSOGCS-GZTJUZNOSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=O)C(=C(N3)C)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccccc2C(=O)OC)C)C1=O
InChI=1SC22H22N2O5c1121015(111720(25)19(13(2)2317)22(27)295)14(3)24(12)18976816(18)21(26)284h61123H15H3b1711+
METHYL(5E)5((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
MFCD04087212
STK037817
ZINC000020123547
ZINC20123547
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