Vitas-M small molecule compound

4-benzyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK449847
SMILES Sc1nnc(n1Cc1ccccc1)c1csc2c1CCCC2

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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 C17H17N3S2 MW 327.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3S2/c21-17-19-18-16(20(17)10-12-6-2-1-3-7-12)14-11-22-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)
InChIKey
JLJGQCJESIHQKC-UHFFFAOYSA-N
Synonyms

4benzyl3(4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4benzyl5(4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
C1CCC2=C(C1)C(=CS2)C3=NNC(=S)N3CC4=CC=CC=C4
InChI=1SC17H17N3S2c2117191816(20(17)10126213712)14112215954813(14)15h136711H45810H2(H1921)
MFCD03467390
ZINC000006557647
ZINC6557647

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Available files

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