Vitas-M small molecule compound
4-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl]benzoic acid
Catalog ID
STK161475
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-15-20(23(28)29-2)19(14-17-8-10-18(11-9-17)22(26)27)21(25)24(15)13-12-16-6-4-3-5-7-16/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,26,27)/b19-14-InChIKey
NOVSSPYGFPZSIQ-RGEXLXHISA-NSynonyms
4((Z)(1(2(CYCLOHEX1EN1YL)ETHYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(2(CYCLOHEXEN1YL)ETHYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CCC3=CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)CCC1=CCCCC1
InChI=1SC23H25NO5c11520(23(28)292)19(141781018(11917)22(26)27)21(25)24(15)1312166435716h681114H3571213H212H3(H2627)b1914
MFCD03254420
ZINC000003889830
ZINC3889830
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