Vitas-M small molecule compound
4-butyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK449692
SMILES CCCCn1c(S)nnc1c1csc2c1CCC(C2)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 C15H21N3S2 MW 307.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N3S2/c1-3-4-7-18-14(16-17-15(18)19)12-9-20-13-8-10(2)5-6-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19)InChIKey
QKXHMCGQQAEFLP-UHFFFAOYSA-NSynonyms
4butyl3(6methyl4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4butyl5(6methyl4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C
InChI=1SC15H21N3S2c13471814(161715(18)19)1292013810(2)5611(12)13h910H38H212H3(H1719)
MFCD03467484
ZINC000005898065
ZINC000005898070
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