Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161554
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1C)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/c1-19-12-13-27(20(2)16-19)32-21(3)17-25(22(32)4)18-26-28(30(34)35-6)23(5)31(29(26)33)15-14-24-10-8-7-9-11-24/h10,12-13,16-18H,7-9,11,14-15H2,1-6H3/b26-18-InChIKey
IKBPINUTXAKENU-ITYLOYPMSA-NSynonyms
CC1=CC(=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(cc1C)C)C)CCC1=CCCCC1
InChI=1SC30H36N2O3c119121327(20(2)1619)3221(3)1725(22(32)4)182628(30(34)356)23(5)31(29(26)33)151424108791124h1012131618H79111415H216H3b2618
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(24DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(24DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03254912
ZINC000014009619
ZINC14009619
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