Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780285
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)CN1CCOCC1)C(=O)CCC2)c1cccc(c1C)Cl
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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/c1-16-19(27)4-2-5-20(16)31-21-6-3-7-22(32)25(21)24(18(13-28)26(31)29)23-12-17(15-34-23)14-30-8-10-33-11-9-30/h2,4-5,12,15,24H,3,6-11,14,29H2,1H3InChIKey
WIDHRAKLQQCCGK-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro2methylphenyl)4(4(morpholin4ylmethyl)thiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)CCC3
InChI=1SC26H27ClN4O2Sc11619(27)42520(16)312163722(32)25(21)24(18(1328)26(31)29)231217(153423)14308103311930h245121524H36111429H21H3
MFCD05860073
ZINC000019873996
ZINC000019873998
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