Vitas-M small molecule compound

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carbothioamide

Catalog ID
STL145150
SMILES NC(=S)c1nnn(c1C)c1ccc2c(c1)OCCO2

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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 C12H12N4O2S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O2S/c1-7-11(12(13)19)14-15-16(7)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6H,4-5H2,1H3,(H2,13,19)
InChIKey
FPWUSCWUGOCDEE-UHFFFAOYSA-N
Synonyms
1351399-16-0
1(23dihydro14benzodioxin6yl)5methyl1H123triazole4carbothioamide
1(23dihydro14benzodioxin6yl)5methyltriazole4carbothioamide
1351399160
CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=S)N
InChI=1SC12H12N4O2Sc1711(12(13)19)141516(7)823910(68)1854179h236H45H21H3(H21319)
MFCD20529049
ZINC000071289421
ZINC71289421

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Available files

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