Vitas-M small molecule compound
2-amino-1-(3-chlorophenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780634
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)C2=C(C1c1scc(c1)CN1CCOCC1)C(=O)CCC2
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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 C25H25ClN4O2S MW 481.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O2S/c26-17-3-1-4-18(12-17)30-20-5-2-6-21(31)24(20)23(19(13-27)25(30)28)22-11-16(15-33-22)14-29-7-9-32-10-8-29/h1,3-4,11-12,15,23H,2,5-10,14,28H2InChIKey
QAGRJTDLZJKHQU-UHFFFAOYSA-NSynonyms
2amino1(3chlorophenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chlorophenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)C1
InChI=1SC25H25ClN4O2Sc261731418(1217)302052621(31)24(20)23(19(1327)25(30)28)221116(153322)1429793210829h13411121523H25101428H2
MFCD06013441
ZINC000019874234
ZINC000019874236
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