Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161548
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1)C)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 C28H32N2O3 MW 444.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O3/c1-19-17-23(20(2)30(19)24-13-9-6-10-14-24)18-25-26(28(32)33-4)21(3)29(27(25)31)16-15-22-11-7-5-8-12-22/h6,9-11,13-14,17-18H,5,7-8,12,15-16H2,1-4H3/b25-18-InChIKey
CKIGYCMDELTOCY-BWAHOGKJSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1)C)CCC1=CCCCC1
InChI=1SC28H32N2O3c1191723(20(2)30(19)241396101424)182526(28(32)334)21(3)29(27(25)31)161522117581222h691113141718H578121516H214H3b2518
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03257944
ZINC000014009607
ZINC14009607
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