Vitas-M small molecule compound
4'-[3-ethoxy-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STL156241
SMILES C#CCSc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)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 C30H32N4O2S MW 512.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2S/c1-4-18-37-29-33-32-28(36-5-2)34(29)26-24-15-8-7-13-22(24)20-30(16-9-6-10-17-30)25(26)27(35)31-23-14-11-12-21(3)19-23/h1,7-8,11-15,19H,5-6,9-10,16-18,20H2,2-3H3,(H,31,35)InChIKey
LZHAVNZHZVHOEB-UHFFFAOYSA-NSynonyms
1(3ETHOXY5PROP2YNYLSULFANYL124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
4(3ethoxy5(prop2yn1ylsulfanyl)4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3ethoxy5(prop2yn1ylthio)4H124triazol4yl)N(mtolyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C)SCC#C
InChI=1SC30H32N4O2Sc14183729333228(3652)34(29)262415871322(24)2030(1696101730)25(26)27(35)312314111221(3)1923h178111519H56910161820H223H3(H3135)
MFCD02982097
ZINC000002282984
ZINC02282984
ZINC2282984
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