Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-7,7-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK782114
SMILES N#CC1=C(N)N(c2noc(c2)C)C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CC(C2)(C)C
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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 C28H26N6O2S MW 510.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O2S/c1-16-8-24(32-36-16)34-21-10-28(2,3)11-22(35)26(21)25(18(12-29)27(34)30)23-9-17(14-37-23)13-33-15-31-19-6-4-5-7-20(19)33/h4-9,14-15,25H,10-11,13,30H2,1-3H3InChIKey
PKLPJBYPNBCHSR-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)77dimethyl1(5methyl12oxazol3yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4(BENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)77DIMETHYL1(5METHYL12OXAZOL3YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=NO1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)CC(C3)(C)C
InChI=1SC28H26N6O2Sc116824(323616)34211028(23)1122(35)26(21)25(18(1229)27(34)30)23917(143723)1333153119645720(19)33h49141525H10111330H213H3
MFCD06016657
ZINC000012446665
ZINC000012446666
ZINC12446666
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