Vitas-M small molecule compound
4-(4-butylphenyl)-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL169680
SMILES CCCCc1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)Cl
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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 C18H18ClN3S MW 343.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3S/c1-2-3-4-13-5-11-16(12-6-13)22-17(20-21-18(22)23)14-7-9-15(19)10-8-14/h5-12H,2-4H2,1H3,(H,21,23)InChIKey
AIKFVMXLRZTMMN-UHFFFAOYSA-NSynonyms
4(4butylphenyl)3(4chlorophenyl)1H124triazole5thione
4(4butylphenyl)5(4chlorophenyl)24dihydro3H124triazole3thione
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl
CCCCc1ccc(cc1)n1c(=S)(nH)nc1c1ccc(cc1)Cl
InChI=1SC18H18ClN3Sc12341351116(12613)2217(202118(22)23)147915(19)10814h512H24H21H3(H2123)
MFCD06196794
ZINC000036611810
ZINC36611810
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