Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781421
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1cccnc1
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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 C28H24N4O3 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3/c1-28(2)13-21-26(22(33)14-28)25(18-7-8-23-24(12-18)35-17-34-23)20(15-29)27(31-10-3-4-11-31)32(21)19-6-5-9-30-16-19/h3-12,16,25H,13-14,17H2,1-2H3InChIKey
YYRHGGHNJQPUAS-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)77dimethyl5oxo1(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
4(13BENZODIOXOL5YL)77DIMETHYL5OXO1PYRIDIN3YL2PYRROL1YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC28H24N4O3c128(2)132126(22(33)1428)25(18782324(1218)35173423)20(1529)27(3110341131)32(21)19659301619h3121625H131417H212H3
MFCD06015033
ZINC000012402357
ZINC000012402358
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