Vitas-M small molecule compound

5-[(4-tert-butylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK466168
SMILES C=CCn1c(COc2ccc(cc2)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 C16H21N3OS MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-5-10-19-14(17-18-15(19)21)11-20-13-8-6-12(7-9-13)16(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,18,21)
InChIKey
ZBNQAVLTRRBXIL-UHFFFAOYSA-N
Synonyms
568574-87-8
3((4TERTBUTYLPHENOXY)METHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5((4TERTBUTYLPHENOXY)METHYL)4H124TRIAZOLE3THIOL
5((4(TERTBUTYL)PHENOXY)METHYL)4PROP2ENYL124TRIAZOLE3THIOL
5((4tertbutylphenoxy)methyl)4(prop2en1yl)4H124triazole3thiol
5(4TERTBUTYLPHENOXYMETHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
568574878
CC(C)(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2CC=C
InChI=1SC16H21N3OSc15101914(171815(19)21)1120138612(7913)16(23)4h59H11011H224H3(H1821)
MFCD04608663
ZINC000005855930
ZINC05855930
ZINC5855930

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Available files

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