Vitas-M small molecule compound

4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK150121
SMILES CCCCc1ccc(cc1)n1c(S)nnc1c1ccccc1

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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 C18H19N3S MW 309.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3S/c1-2-3-7-14-10-12-16(13-11-14)21-17(19-20-18(21)22)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3,(H,20,22)
InChIKey
QNPQKJOMCYJFCA-UHFFFAOYSA-N
Synonyms
675142-34-4
4(4BUTYLPHENYL)3PHENYL1H124TRIAZOLE5THIONE
4(4BUTYLPHENYL)5PHENYL124TRIAZOLE3THIOL
4(4BUTYLPHENYL)5PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
4(4BUTYLPHENYL)5PHENYL4H124TRIAZOLE3THIOL
675142344
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3
InChI=1SC18H19N3Sc123714101216(131114)2117(192018(21)22)158546915h46813H237H21H3(H2022)
MFCD03612890
ZINC000006351901
ZINC6351901

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Available files

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