Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780284
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)CN1CCOCC1)C(=O)CC(C2)(C)C)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 C28H31ClN4O2S MW 523.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN4O2S/c1-17-20(29)5-4-6-21(17)33-22-12-28(2,3)13-23(34)26(22)25(19(14-30)27(33)31)24-11-18(16-36-24)15-32-7-9-35-10-8-32/h4-6,11,16,25H,7-10,12-13,15,31H2,1-3H3InChIKey
UDTSSUOPMADMEY-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)77dimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLORO2METHYLPHENYL)77DIMETHYL4(4(MORPHOLIN4YLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)CC(C3)(C)C
InChI=1SC28H31ClN4O2Sc11720(29)54621(17)33221228(23)1323(34)26(22)25(19(1430)27(33)31)241118(163624)1532793510832h46111625H71012131531H213H3
MFCD05860072
ZINC000012372457
ZINC000012372458
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