Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160584
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(=O)OC)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 C30H34N2O5 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O5/c1-19-17-23(20(2)32(19)26-14-10-9-13-24(26)29(34)36-4)18-25-27(30(35)37-5)21(3)31(28(25)33)16-15-22-11-7-6-8-12-22/h9-11,13-14,17-18H,6-8,12,15-16H2,1-5H3/b25-18-InChIKey
BSJFWXIKQMDNMV-BWAHOGKJSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)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)c1ccccc1C(=O)OC)C)CCC1=CCCCC1
InChI=1SC30H34N2O5c1191723(20(2)32(19)26141091324(26)29(34)364)182527(30(35)375)21(3)31(28(25)33)161522117681222h91113141718H68121516H215H3b2518
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD04276495
ZINC000009845916
ZINC09845916
ZINC9845916
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Check stock on Vitas-MAvailable files
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