Vitas-M small molecule compound
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK779875
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)C2=C(C1c1scc(c1)CN1CCOCC1)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 C27H29ClN4O2S MW 509.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O2S/c1-27(2)12-21-25(22(33)13-27)24(23-10-17(16-35-23)15-31-6-8-34-9-7-31)20(14-29)26(30)32(21)19-5-3-4-18(28)11-19/h3-5,10-11,16,24H,6-9,12-13,15,30H2,1-2H3InChIKey
XPFZXTUSGGUGOJ-UHFFFAOYSA-NSynonyms
2amino1(3chlorophenyl)77dimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLOROPHENYL)77DIMETHYL4(4(MORPHOLIN4YLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)C1)C
InChI=1SC27H29ClN4O2Sc127(2)122125(22(33)1327)24(231017(163523)153168349731)20(1429)26(30)32(21)1953418(28)1119h3510111624H6912131530H212H3
MFCD05859411
ZINC000012402335
ZINC000012402336
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