Vitas-M small molecule compound
N-benzyl-4'-{3-[(2,4-dimethylbenzyl)sulfanyl]-5-ethoxy-4H-1,2,4-triazol-4-yl}-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK524510
SMILES CCOc1nnc(n1C1=C(C(=O)NCc2ccccc2)C2(Cc3c1cccc3)CCCCC2)SCc1ccc(cc1C)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 C36H40N4O2S MW 592.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N4O2S/c1-4-42-34-38-39-35(43-24-29-18-17-25(2)21-26(29)3)40(34)32-30-16-10-9-15-28(30)22-36(19-11-6-12-20-36)31(32)33(41)37-23-27-13-7-5-8-14-27/h5,7-10,13-18,21H,4,6,11-12,19-20,22-24H2,1-3H3,(H,37,41)InChIKey
OCXMHEFJXYQTRS-UHFFFAOYSA-NSynonyms
CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NCC5=CC=CC=C5)SCC6=C(C=C(C=C6)C)C
InChI=1SC36H40N4O2Sc144234383935(432429181725(2)2126(29)3)40(34)3230161091528(30)2236(19116122036)31(32)33(41)372327137581427h5710131821H46111219202224H213H3(H3741)
MFCD01945388
NBENZYL1(3((24DIMETHYLPHENYL)METHYLSULFANYL)5ETHOXY124TRIAZOL4YL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
Nbenzyl4(3((24dimethylbenzyl)sulfanyl)5ethoxy4H124triazol4yl)1Hspiro(cyclohexane12naphthalene)3carboxamide
Nbenzyl4(3((24dimethylbenzyl)thio)5ethoxy4H124triazol4yl)1Hspiro(cyclohexane12naphthalene)3carboxamide
ZINC000001858025
ZINC01858025
ZINC1858025
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