Vitas-M small molecule compound

4-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK448379
SMILES Sc1nnc(n1CCc1ccccc1)c1cc2c(s1)CCCCC2

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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 C19H21N3S2 MW 355.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3S2/c23-19-21-20-18(22(19)12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-16(15)24-17/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,21,23)
InChIKey
YAUYUFZPPBNIRC-UHFFFAOYSA-N
Synonyms

4(2phenylethyl)3(5678tetrahydro4Hcyclohepta(b)thiophen2yl)1H124triazole5thione
4(2phenylethyl)5(5678tetrahydro4Hcyclohepta(b)thiophen2yl)4H124triazole3thiol
C1CCC2=C(CC1)SC(=C2)C3=NNC(=S)N3CCC4=CC=CC=C4
InChI=1SC19H21N3S2c2319212018(22(19)1211147314814)17131595261016(15)2417h1347813H256912H2(H2123)
MFCD04141058
ZINC000017073532
ZINC17073532

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Available files

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