Vitas-M small molecule compound

2-amino-1-(3-chlorophenyl)-4-[5-methyl-4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783144
SMILES N#CC1=C(N)N(c2cccc(c2)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(15-30-8-10-33-11-9-30)12-23(34-16)24-20(14-28)26(29)31(19-5-2-4-18(27)13-19)21-6-3-7-22(32)25(21)24/h2,4-5,12-13,24H,3,6-11,15,29H2,1H3
InChIKey
KEGXGFXUBRNWFL-UHFFFAOYSA-N
Synonyms

2amino1(3chlorophenyl)4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chlorophenyl)4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Cl)N)C#N)CN5CCOCC5
InChI=1SC26H27ClN4O2Sc11617(15308103311930)1223(3416)2420(1428)26(29)31(1952418(27)1319)2163722(32)25(21)24h245121324H36111529H21H3
MFCD06617586
ZINC000019932153
ZINC000019932156

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Available files

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