Vitas-M small molecule compound
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL099063
SMILES COc1c(OC)cc(cc1OC)c1nnc2n1nc(s2)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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-25-15-9-12(10-16(26-2)17(15)27-3)18-21-22-20-24(18)23-19(30-20)11-4-5-13-14(8-11)29-7-6-28-13/h4-5,8-10H,6-7H2,1-3H3InChIKey
ROMQBGFJRLJPMF-UHFFFAOYSA-NSynonyms
6(23dihydro14benzodioxin6yl)3(345trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCCO5
InChI=1SC20H18N4O5Sc12515912(1016(262)17(15)273)1821222024(18)2319(3020)11451314(811)29762813h45810H67H213H3
MFCD07187885
ZINC000006906479
ZINC06906479
ZINC6906479
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