Vitas-M small molecule compound
4'-[3-(butylsulfanyl)-5-ethoxy-4H-1,2,4-triazol-4-yl]-N-phenyl-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK525459
SMILES CCCCSc1nnc(n1C1=C(C(=O)Nc2ccccc2)C2(Cc3c1cccc3)CCCCC2)OCC
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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 C30H36N4O2S MW 516.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O2S/c1-3-5-20-37-29-33-32-28(36-4-2)34(29)26-24-17-11-10-14-22(24)21-30(18-12-7-13-19-30)25(26)27(35)31-23-15-8-6-9-16-23/h6,8-11,14-17H,3-5,7,12-13,18-21H2,1-2H3,(H,31,35)InChIKey
ZEIIKJGRYOXNOM-UHFFFAOYSA-NSynonyms
372502-52-81(3BUTYLSULFANYL5ETHOXY124TRIAZOL4YL)NPHENYLSPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
372502528
4(3(butylsulfanyl)5ethoxy4H124triazol4yl)Nphenyl1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3(butylthio)5ethoxy4H124triazol4yl)Nphenyl1Hspiro(cyclohexane12naphthalene)3carboxamide
CCCCSC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC=C5)OCC
InChI=1SC30H36N4O2Sc135203729333228(3642)34(29)26241711101422(24)2130(18127131930)25(26)27(35)3123158691623h68111417H35712131821H212H3(H3135)
MFCD01944687
ZINC000001902829
ZINC01902829
ZINC1902829
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