Vitas-M small molecule compound
methyl (4Z)-4-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxybenzyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161531
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)C)C)Cc1ccc(cc1)OC
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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 C29H30N2O4 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4/c1-18-8-7-9-24(14-18)31-19(2)15-23(20(31)3)16-26-27(29(33)35-6)21(4)30(28(26)32)17-22-10-12-25(34-5)13-11-22/h7-16H,17H2,1-6H3/b26-16-InChIKey
RYFWKFIHYVLNRA-QQXSKIMKSA-NSynonyms
CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4=CC=C(C=C4)OC)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)C)C)Cc1ccc(cc1)OC
InChI=1SC29H30N2O4c11887924(1418)3119(2)1523(20(31)3)162627(29(33)356)21(4)30(28(26)32)1722101225(345)131122h716H17H216H3b2616
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(4METHOXYBENZYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)1((4METHOXYPHENYL)METHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03261288
ZINC000014009566
ZINC14009566
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