Vitas-M small molecule compound
N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STK640548
SMILES O=C(C1c2ccccc2C(=O)N(C21CCCCC2)c1ccccc1)/N=c\1/scc([nH]1)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 C25H25N3O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S/c1-17-16-31-24(26-17)27-22(29)21-19-12-6-7-13-20(19)23(30)28(18-10-4-2-5-11-18)25(21)14-8-3-9-15-25/h2,4-7,10-13,16,21H,3,8-9,14-15H2,1H3,(H,26,27,29)InChIKey
NYBDCBSLXZLQJC-UHFFFAOYSA-NSynonyms
1180027-30-81180027308
CC1=CSC(=N1)NC(=O)C2C3=CC=CC=C3C(=O)N(C24CCCCC4)C5=CC=CC=C5
InChI=1SC25H25N3O2Sc117163124(2617)2722(29)211912671320(19)23(30)28(18104251118)25(21)148391525h24710131621H3891415H21H3(H262729)
MFCD18162372
N((2E)4methyl13thiazol2(3H)ylidene)1oxo2phenyl14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
N(4methyl13thiazol2yl)1oxo2phenylspiro(4Hisoquinoline31cyclohexane)4carboxamide
O=C(C1c2ccccc2C(=O)N(C21CCCCC2)c1ccccc1)N=c1scc((nH)1)C
ZINC000020744635
ZINC000020744636
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