Vitas-M small molecule compound
6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[chloro(difluoro)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL156179
SMILES FC(c1nnc2n1nc(s2)/C=C/c1ccc2c(c1)OCO2)(Cl)F
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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 C13H7ClF2N4O2S MW 356.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7ClF2N4O2S/c14-13(15,16)11-17-18-12-20(11)19-10(23-12)4-2-7-1-3-8-9(5-7)22-6-21-8/h1-5H,6H2/b4-2+InChIKey
DJTGXGGZCSTWOO-DUXPYHPUSA-NSynonyms
1282458-69-8(E)6(2(benzo(d)(13)dioxol5yl)vinyl)3(chlorodifluoromethyl)(124)triazolo(34b)(134)thiadiazole
1282458698
6((E)2(13benzodioxol5yl)ethenyl)3(chloro(difluoro)methyl)(124)triazolo(34b)(134)thiadiazole
C1OC2=C(O1)C=C(C=C2)C=CC3=NN4C(=NN=C4S3)C(F)(F)Cl
FC(c1nnc2n1nc(s2)C=Cc1ccc2c(c1)OCO2)(Cl)F
InChI=1SC13H7ClF2N4O2Sc1413(1516)1117181220(11)1910(2312)4271389(57)226218h15H6H2b42+
MFCD18797124
ZINC000061718347
ZINC61718347
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