Vitas-M small molecule compound
N-benzyl-4'-{3-ethoxy-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK524613
SMILES CCOc1nnc(n1C1=C(C(=O)NCc2ccccc2)C2(Cc3c1cccc3)CCCCC2)SCCc1ccccc1
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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 C35H38N4O2S MW 578.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N4O2S/c1-2-41-33-37-38-34(42-23-20-26-14-6-3-7-15-26)39(33)31-29-19-11-10-18-28(29)24-35(21-12-5-13-22-35)30(31)32(40)36-25-27-16-8-4-9-17-27/h3-4,6-11,14-19H,2,5,12-13,20-25H2,1H3,(H,36,40)InChIKey
PLBXQNYBOMPEBG-UHFFFAOYSA-NSynonyms
CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NCC5=CC=CC=C5)SCCC6=CC=CC=C6
InChI=1SC35H38N4O2Sc124133373834(42232026146371526)39(33)31291911101828(29)2435(21125132235)30(31)32(40)362527168491727h346111419H2512132025H21H3(H3640)
MFCD01957978
Nbenzyl1(3ethoxy5(2phenylethylsulfanyl)124triazol4yl)spiro(4Hnaphthalene31cyclohexane)2carboxamide
NBENZYL1(3ETHOXY5PHENETHYLSULFANYL124TRIAZOL4YL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
Nbenzyl4(3ethoxy5((2phenylethyl)sulfanyl)4H124triazol4yl)1Hspiro(cyclohexane12naphthalene)3carboxamide
Nbenzyl4(3ethoxy5(phenethylthio)4H124triazol4yl)1Hspiro(cyclohexane12naphthalene)3carboxamide
ZINC000001873207
ZINC01873207
ZINC1873207
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