Vitas-M small molecule compound
4'-[3-(benzylsulfanyl)-5-ethoxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK525513
SMILES CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCc1ccccc1
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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 C34H36N4O2S MW 564.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O2S/c1-3-40-32-36-37-33(41-23-25-14-6-4-7-15-25)38(32)30-28-18-9-8-16-26(28)22-34(19-10-5-11-20-34)29(30)31(39)35-27-17-12-13-24(2)21-27/h4,6-9,12-18,21H,3,5,10-11,19-20,22-23H2,1-2H3,(H,35,39)InChIKey
KFNWSTCOILYZBL-UHFFFAOYSA-NSynonyms
1(3BENZYLSULFANYL5ETHOXY124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
4(3(benzylsulfanyl)5ethoxy4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3(benzylthio)5ethoxy4H124triazol4yl)N(mtolyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C)SCC6=CC=CC=C6
InChI=1SC34H36N4O2Sc134032363733(412325146471525)38(32)302818981626(28)2234(19105112034)29(30)31(39)352717121324(2)2127h469121821H35101119202223H212H3(H3539)
MFCD01958772
ZINC000001790816
ZINC01790816
ZINC1790816
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