Vitas-M small molecule compound

3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK787600
SMILES COc1ccc(cc1c1nnc2n1nc(s2)C1COc2c(O1)cccc2)Cl

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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 C18H13ClN4O3S MW 400.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN4O3S/c1-24-12-7-6-10(19)8-11(12)16-20-21-18-23(16)22-17(27-18)15-9-25-13-4-2-3-5-14(13)26-15/h2-8,15H,9H2,1H3
InChIKey
FMTNCJKTDAPRND-UHFFFAOYSA-N
Synonyms
951981-91-2
3(5chloro2methoxyphenyl)6(23dihydro14benzodioxin2yl)(124)triazolo(34b)(134)thiadiazole
3(5chloro2methoxyphenyl)6(23dihydro14benzodioxin3yl)(124)triazolo(34b)(134)thiadiazole
3(5chloro2methoxyphenyl)6(23dihydrobenzo(b)(14)dioxin2yl)(124)triazolo(34b)(134)thiadiazole
951981912
COC1=C(C=C(C=C1)Cl)C2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4
InChI=1SC18H13ClN4O3Sc124127610(19)811(12)1620211823(16)2217(2718)1592513423514(13)2615h2815H9H21H3
MFCD09851181
ZINC000013689635
ZINC000013689637

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Available files

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