Vitas-M small molecule compound
2,6-di-tert-butyl-4-{2-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phenol
Catalog ID
STK666717
SMILES C=CCn1c(CCc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nnc1S
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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 C21H31N3OS MW 373.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3OS/c1-8-11-24-17(22-23-19(24)26)10-9-14-12-15(20(2,3)4)18(25)16(13-14)21(5,6)7/h8,12-13,25H,1,9-11H2,2-7H3,(H,23,26)InChIKey
WTKALAMTFYYBNF-UHFFFAOYSA-NSynonyms
26ditertbutyl4(2(4(prop2en1yl)5sulfanyl4H124triazol3yl)ethyl)phenol
3(2(35DITERTBUTYL4HYDROXYPHENYL)ETHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
3(2(35DITERTBUTYL4OXIDANYLPHENYL)ETHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL3(2(35DITERTBUTYL4HYDROXYPHENYL)ETHYL)1H124TRIAZOLE5THIONE
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=NNC(=S)N2CC=C
InChI=1SC21H31N3OSc18112417(222319(24)26)109141215(20(23)4)18(25)16(1314)21(56)7h8121325H1911H227H3(H2326)
MFCD04622303
ZINC000005831494
ZINC05831494
ZINC5831494
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