Vitas-M small molecule compound
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161504
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(=O)OC)C)CC(C)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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-15(2)14-27-18(5)23(26(31)33-7)21(24(27)29)13-19-12-16(3)28(17(19)4)22-11-9-8-10-20(22)25(30)32-6/h8-13,15H,14H2,1-7H3/b21-13-InChIKey
LNXKWXODUCICNF-BKUYFWCQSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)CC(C)C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1C(=O)OC)C)CC(C)C
InChI=1SC26H30N2O5c115(2)142718(5)23(26(31)337)21(24(27)29)13191216(3)28(17(19)4)2211981020(22)25(30)326h81315H14H217H3b2113
METHYL(4Z)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
MFCD03254850
ZINC000003651970
ZINC03651970
ZINC3651970
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