Vitas-M small molecule compound
4'-{3-[(2,4-dimethylbenzyl)sulfanyl]-5-ethoxy-4H-1,2,4-triazol-4-yl}-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK526053
SMILES CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)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/c1-5-42-34-38-39-35(43-23-28-17-16-25(3)20-26(28)4)40(34)32-30-15-8-7-13-27(30)22-36(18-9-6-10-19-36)31(32)33(41)37-29-14-11-12-24(2)21-29/h7-8,11-17,20-21H,5-6,9-10,18-19,22-23H2,1-4H3,(H,37,41)InChIKey
XGLPRFYMZSPMKR-UHFFFAOYSA-NSynonyms
1(3((24DIMETHYLPHENYL)METHYLSULFANYL)5ETHOXY124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
4(3((24dimethylbenzyl)sulfanyl)5ethoxy4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3((24dimethylbenzyl)thio)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=C(C=C(C=C6)C)C
InChI=1SC36H40N4O2Sc154234383935(432328171625(3)2026(28)4)40(34)323015871327(30)2236(1896101936)31(32)33(41)372914111224(2)2129h7811172021H5691018192223H214H3(H3741)
MFCD01957781
ZINC000002593712
ZINC2593712
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