Vitas-M small molecule compound
3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK191978
SMILES CC(c1ccc(cc1)c1nnc2n1nc(s2)C1COc2c(O1)cccc2)(C)C
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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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-21(2,3)14-10-8-13(9-11-14)18-22-23-20-25(18)24-19(28-20)17-12-26-15-6-4-5-7-16(15)27-17/h4-11,17H,12H2,1-3H3InChIKey
KCIINISVKAZGCK-UHFFFAOYSA-NSynonyms
3(4TERTBUTYLPHENYL)6(23DIHYDRO14BENZODIOXIN2YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(4tertbutylphenyl)6(23dihydro14benzodioxin3yl)(124)triazolo(34b)(134)thiadiazole
CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4
InChI=1SC21H20N4O2Sc121(23)1410813(91114)1822232025(18)2419(2820)17122615645716(15)2717h41117H12H213H3
MFCD05087726
ZINC000004664904
ZINC000004664905
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