Vitas-M small molecule compound

phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol

Catalog ID
STK734837
SMILES C=CCn1c(nnc1S)C(c1ccccc1)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 C12H13N3OS MW 247.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)10(16)9-6-4-3-5-7-9/h2-7,10,16H,1,8H2,(H,14,17)
InChIKey
LHCIBNVRPCQANT-UHFFFAOYSA-N
Synonyms
21358-27-0
(4ALLYL5MERCAPTO4H124TRIAZOL3YL)(PHENYL)METHANOL
21358270
3(HYDROXY(PHENYL)METHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
C=CCN1C(=NNC1=S)C(C2=CC=CC=C2)O
InChI=1SC12H13N3OSc1281511(131412(15)17)10(16)9643579h271016H18H2(H1417)
MFCD03768416
phenyl(4(prop2en1yl)5sulfanyl4H124triazol3yl)methanol
ZINC000000056375
ZINC000000056376

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.