Vitas-M small molecule compound
4-{[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzyl]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK511112
SMILES C=CCOc1c(Cl)cc(cc1OC)CNn1cnnc1S
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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 C13H15ClN4O2S MW 326.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN4O2S/c1-3-4-20-12-10(14)5-9(6-11(12)19-2)7-16-18-8-15-17-13(18)21/h3,5-6,8,16H,1,4,7H2,2H3,(H,17,21)InChIKey
VIJSSYXFKLLPKR-UHFFFAOYSA-NSynonyms
4((3CHLORO5METHOXY4(PROP2EN1YLOXY)BENZYL)AMINO)24DIHYDRO3H124TRIAZOLE3THIONE
4((3chloro5methoxy4(prop2en1yloxy)benzyl)amino)4H124triazole3thiol
4((3CHLORO5METHOXY4PROP2ENOXYPHENYL)METHYLAMINO)1H124TRIAZOLE5THIONE
4((4(ALLYLOXY)3CHLORO5METHOXYBENZYL)AMINO)4H124TRIAZOL3YLHYDROSULFIDE
4((4(ALLYLOXY)3CHLORO5METHOXYBENZYL)AMINO)4H124TRIAZOLE3THIOL
COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC=C
InChI=1SC13H15ClN4O2Sc134201210(14)59(611(12)192)716188151713(18)21h356816H147H22H3(H1721)
MFCD04153158
ZINC000006603455
ZINC06603455
ZINC6603455
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