Vitas-M small molecule compound

1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbothioamide

Catalog ID
STL145401
SMILES COc1cc(ccc1OC)n1nnc(c1C)C(=S)N

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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 C12H14N4O2S MW 278.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O2S/c1-7-11(12(13)19)14-15-16(7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,13,19)
InChIKey
GRVJTKDNDCZKGB-UHFFFAOYSA-N
Synonyms

1(34dimethoxyphenyl)5methyl1H123triazole4carbothioamide
1(34dimethoxyphenyl)5methyltriazole4carbothioamide
CC1=C(N=NN1C2=CC(=C(C=C2)OC)OC)C(=S)N
InChI=1SC12H14N4O2Sc1711(12(13)19)141516(7)8459(172)10(68)183h46H13H3(H21319)
MFCD20754935
ZINC000071328611
ZINC71328611

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.