Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756025
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C
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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 C27H28ClN3O4 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O4/c1-27(2)12-19-24(20(32)13-27)23(15-10-21(33-3)25(35-5)22(11-15)34-4)18(14-29)26(30)31(19)17-8-6-16(28)7-9-17/h6-11,23H,12-13,30H2,1-5H3InChIKey
IRSWLSFDIRNGQF-UHFFFAOYSA-NSynonyms
311777-77-22amino1(4chlorophenyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLOROPHENYL)77DIMETHYL5OXO4(345TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
311777772
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC27H28ClN3O4c127(2)121924(20(32)1327)23(151021(333)25(355)22(1115)344)18(1429)26(30)31(19)178616(28)7917h61123H121330H215H3
MFCD01240218
ZINC000000713479
ZINC000000713480
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