Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161558
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)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 C29H34N2O3 MW 458.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O3/c1-19-10-9-13-25(16-19)31-20(2)17-24(21(31)3)18-26-27(29(33)34-5)22(4)30(28(26)32)15-14-23-11-7-6-8-12-23/h9-11,13,16-18H,6-8,12,14-15H2,1-5H3/b26-18-InChIKey
CQTHYESZLFCPCE-ITYLOYPMSA-NSynonyms
CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)C)C)CCC1=CCCCC1
InChI=1SC29H34N2O3c1191091325(1619)3120(2)1724(21(31)3)182627(29(33)345)22(4)30(28(26)32)151423117681223h911131618H68121415H215H3b2618
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((25DIMETHYL1(3METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03254586
ZINC000014009631
ZINC14009631
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