Vitas-M small molecule compound
2-amino-1-(4-bromo-2-methylphenyl)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174873
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CN1CCCC1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1C)Br
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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 C31H35BrN4O2 MW 575.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35BrN4O2/c1-19-13-22(32)8-9-24(19)36-25-15-31(2,3)16-26(37)29(25)28(23(17-33)30(36)34)20-7-10-27(38-4)21(14-20)18-35-11-5-6-12-35/h7-10,13-14,28H,5-6,11-12,15-16,18,34H2,1-4H3InChIKey
GOAREVYZSASUOU-UHFFFAOYSA-NSynonyms
444934-25-22amino1(4bromo2methylphenyl)4(4methoxy3(pyrrolidin1ylmethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMO2METHYLPHENYL)4(4METHOXY3(PYRROLIDIN1YLMETHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444934252
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)CN5CCCC5)C(=O)CC(C3)(C)C
InChI=1SC31H35BrN4O2c1191322(32)8924(19)36251531(23)1626(37)29(25)28(23(1733)30(36)34)2071027(384)21(1420)183511561235h710131428H56111215161834H214H3
MFCD03071264
ZINC000002090880
ZINC000002090885
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