Vitas-M small molecule compound
1-{[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-2-methyl-1H-benzimidazole
Catalog ID
STK288046
SMILES Cc1nc2c(n1Cc1nnc3n1nc(s3)Cc1ccc3c(c1)OCCO3)cccc2
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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 C21H18N6O2S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O2S/c1-13-22-15-4-2-3-5-16(15)26(13)12-19-23-24-21-27(19)25-20(30-21)11-14-6-7-17-18(10-14)29-9-8-28-17/h2-7,10H,8-9,11-12H2,1H3InChIKey
KHVUQCKAFQNUHS-UHFFFAOYSA-NSynonyms
1((6(23dihydro14benzodioxin6ylmethyl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)2methyl1Hbenzimidazole
6(23dihydro14benzodioxin6ylmethyl)3((2methylbenzimidazol1yl)methyl)(124)triazolo(34b)(134)thiadiazole
CC1=NC2=CC=CC=C2N1CC3=NN=C4N3N=C(S4)CC5=CC6=C(C=C5)OCCO6
InChI=1SC21H18N6O2Sc1132215423516(15)26(13)121923242127(19)2520(3021)1114671718(1014)29982817h2710H891112H21H3
MFCD09271149
ZINC000013943928
ZINC13943928
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