Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK782780
SMILES N#CC1=C(N)N(c2noc(c2)C)C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)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 C26H22N6O2S MW 482.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O2S/c1-15-9-23(30-34-15)32-20-7-4-8-21(33)25(20)24(17(11-27)26(32)28)22-10-16(13-35-22)12-31-14-29-18-5-2-3-6-19(18)31/h2-3,5-6,9-10,13-14,24H,4,7-8,12,28H2,1H3InChIKey
WPOXXENUNDANEE-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(5methyl12oxazol3yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(benzimidazol1ylmethyl)thiophen2yl)1(5methyl12oxazol3yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC(=NO1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)CCC3
InChI=1SC26H22N6O2Sc115923(303415)322074821(33)25(20)24(17(1127)26(32)28)221016(133522)1231142918523619(18)31h2356910131424H4781228H21H3
MFCD06616844
ZINC000012446668
ZINC000012446669
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