Vitas-M small molecule compound
4'-[3-(ethylsulfanyl)-5-hydroxy-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK831348
SMILES CCSc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)O
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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 C27H30N4O2S MW 474.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O2S/c1-3-34-26-30-29-25(33)31(26)23-21-13-6-5-11-19(21)17-27(14-7-4-8-15-27)22(23)24(32)28-20-12-9-10-18(2)16-20/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3,(H,28,32)(H,29,33)InChIKey
RABULAQJRDZKBR-UHFFFAOYSA-NSynonyms
1(3ETHYLSULFANYL5OXO1H124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
4(3(ethylsulfanyl)5hydroxy4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3(ethylthio)5hydroxy4H124triazol4yl)N(mtolyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
CCSC1=NNC(=O)N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C
InChI=1SC27H30N4O2Sc133426302925(33)31(26)232113651119(21)1727(147481527)22(23)24(32)28201291018(2)1620h5691316H3478141517H212H3(H2832)(H2933)
MFCD02241077
ZINC000002298733
ZINC2298733
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