Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161476
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)CCC1=CCCCC1
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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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-16-21(24(28)30-3)20(15-18-9-11-19(12-10-18)23(27)29-2)22(26)25(16)14-13-17-7-5-4-6-8-17/h7,9-12,15H,4-6,8,13-14H2,1-3H3/b20-15-InChIKey
PEOXJHHFAUESGQ-HKWRFOASSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1CCC3=CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)CCC1=CCCCC1
InChI=1SC24H27NO5c11621(24(28)303)20(151891119(121018)23(27)292)22(26)25(16)1413177546817h791215H4681314H213H3b2015
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03252829
ZINC000004699104
ZINC04699104
ZINC4699104
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