Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161553
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C)C)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 C30H36N2O3 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3/c1-19-12-13-26(16-20(19)2)32-21(3)17-25(22(32)4)18-27-28(30(34)35-6)23(5)31(29(27)33)15-14-24-10-8-7-9-11-24/h10,12-13,16-18H,7-9,11,14-15H2,1-6H3/b27-18-InChIKey
ZYPCMOOZDVMQSA-IMRQLAEWSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C)C)C)CCC1=CCCCC1
InChI=1SC30H36N2O3c119121326(1620(19)2)3221(3)1725(22(32)4)182728(30(34)356)23(5)31(29(27)33)151424108791124h1012131618H79111415H216H3b2718
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(34DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(34DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03253271
ZINC000014009616
ZINC14009616
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.