Vitas-M small molecule compound

6-(1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK979915
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc2c(c1)OCO2

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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-3-6-11-30-22-24-21-19(25-26-22)15-7-4-5-8-16(15)23-20(29-21)14-9-10-17-18(12-14)28-13-27-17/h4-5,7-10,12,20,23H,2-3,6,11,13H2,1H3
InChIKey
DZSYTOOTSOJRNY-UHFFFAOYSA-N
Synonyms
352694-49-6
352694496
6(13benzodioxol5yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(13BENZODIOXOL5YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=C(C=C4)OCO5)N=N1
InChI=1SC22H22N4O3Sc1236113022242119(252622)15745816(15)2320(2921)149101718(1214)28132717h45710122023H2361113H21H3
MFCD01647964
ZINC000002084669
ZINC000002084670

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Available files

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