Vitas-M small molecule compound

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

Catalog ID
STK466181
SMILES CC(n1c(S)nnc1c1csc2c1CCCC2)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 C13H17N3S2 MW 279.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S2/c1-8(2)16-12(14-15-13(16)17)10-7-18-11-6-4-3-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKey
GXYQMRCSDPKVFL-UHFFFAOYSA-N
Synonyms
847503-22-4
4(propan2yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
4propan2yl3(4567tetrahydro1benzothiophen3yl)1H124triazole5thione
847503224
CC(C)N1C(=NNC1=S)C2=CSC3=C2CCCC3
InChI=1SC13H17N3S2c18(2)1612(141513(16)17)107181164359(10)11h78H36H212H3(H1517)
MFCD03423444
ZINC000002569146
ZINC02569146
ZINC2569146

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Available files

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