Vitas-M small molecule compound

6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK708410
SMILES COc1cc(ccc1OC)Cc1nnc2n1nc(s2)C1COc2c(O1)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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-25-13-8-7-12(9-16(13)26-2)10-18-21-22-20-24(18)23-19(29-20)17-11-27-14-5-3-4-6-15(14)28-17/h3-9,17H,10-11H2,1-2H3
InChIKey
JDUGGTCBQJYRLR-UHFFFAOYSA-N
Synonyms
929840-66-4
6(23dihydro14benzodioxin2yl)3(34dimethoxybenzyl)(124)triazolo(34b)(134)thiadiazole
6(23dihydro14benzodioxin3yl)3((34dimethoxyphenyl)methyl)(124)triazolo(34b)(134)thiadiazole
6(23dihydrobenzo(b)(14)dioxin2yl)3(34dimethoxybenzyl)(124)triazolo(34b)(134)thiadiazole
929840664
COC1=C(C=C(C=C1)CC2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4)OC
InChI=1SC20H18N4O4Sc125138712(916(13)262)101821222024(18)2319(2920)17112714534615(14)2817h3917H1011H212H3
MFCD09184172
ZINC000009486193
ZINC000009486195

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Available files

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