Vitas-M small molecule compound
(3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide
Catalog ID
STK683084
SMILES CCNC(=O)C(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C(=O)N1CCCCCC1
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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 C23H31N3O3 MW 397.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O3/c1-4-24-21(28)20(27)18(22(29)26-13-9-5-6-10-14-26)19-17-12-8-7-11-16(17)15-23(2,3)25-19/h7-8,11-12,25H,4-6,9-10,13-15H2,1-3H3,(H,24,28)/b19-18+InChIKey
IPCJXRRTLGRZHT-VHEBQXMUSA-NSynonyms
(3E)4(AZEPAN1YL)3(33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)NETHYL24DIOXOBUTANAMIDE
(3E)4(azepan1yl)3(33dimethyl34dihydroisoquinolin1(2H)ylidene)Nethyl24dioxobutanamide
4AZAPERHYDROEPINYL3(33DIMETHYL(234TRIHYDROISOQUINOLYLIDENE))NETHYL24DIOXOBUTANAMIDE
BUTYRAMIDE4(AZEPAN1YL)3(33DIMETHYL34DIHYDRO2HISOQUINOLIN1YLIDENE)NETHYL24DIOXO
CCNC(=O)C(=O)C(=C1C2=CC=CC=C2CC(N1)(C)C)C(=O)N3CCCCCC3
CCNC(=O)C(=O)C(=C1NC(C)(C)Cc2c1cccc2)C(=O)N1CCCCCC1
InChI=1SC23H31N3O3c142421(28)20(27)18(22(29)2613956101426)191712871116(17)1523(23)2519h78111225H469101315H213H3(H2428)b1918+
MFCD04061982
ZINC000019857524
ZINC19857524
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