Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-4-[5-methyl-4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783440
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1sc(c(c1)CN1CCOCC1)C)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 C26H27ClN4O2S MW 495.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O2S/c1-16-17(15-30-9-11-33-12-10-30)13-23(34-16)24-20(14-28)26(29)31(19-7-5-18(27)6-8-19)21-3-2-4-22(32)25(21)24/h5-8,13,24H,2-4,9-12,15,29H2,1H3InChIKey
RKJXIQFQKCNILB-UHFFFAOYSA-NSynonyms
2amino1(4chlorophenyl)4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4chlorophenyl)4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Cl)N)C#N)CN5CCOCC5
InChI=1SC26H27ClN4O2Sc11617(153091133121030)1323(3416)2420(1428)26(29)31(197518(27)6819)2132422(32)25(21)24h581324H249121529H21H3
MFCD06618234
ZINC000019932367
ZINC000019932370
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