Vitas-M small molecule compound
5-[(4-tert-butylphenoxy)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891267
SMILES CC(c1ccc(cc1)OCc1nnc(n1C1CC1)S)(C)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 C16H21N3OS MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-16(2,3)11-4-8-13(9-5-11)20-10-14-17-18-15(21)19(14)12-6-7-12/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,18,21)InChIKey
GFRMGZBJVVIKAP-UHFFFAOYSA-NSynonyms
3((4tertbutylphenoxy)methyl)4cyclopropyl1H124triazole5thione
5((4tertbutylphenoxy)methyl)4cyclopropyl4H124triazole3thiol
CC(C)(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2C3CC3
InChI=1SC16H21N3OSc116(23)114813(9511)201014171815(21)19(14)126712h458912H6710H213H3(H1821)
MFCD09983426
ZINC000011692614
ZINC11692614
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