Vitas-M small molecule compound

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

Catalog ID
STL169731
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc2OCOc2cc1Br

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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 C19H15BrN4O3S MW 459.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN4O3S/c1-2-28-19-22-18-16(23-24-19)10-5-3-4-6-13(10)21-17(27-18)11-7-14-15(8-12(11)20)26-9-25-14/h3-8,17,21H,2,9H2,1H3
InChIKey
JQWCLILTZDMSKV-UHFFFAOYSA-N
Synonyms
354546-97-7
354546977
6(6bromo13benzodioxol5yl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(6BROMO13BENZODIOXOL5YL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(6BROMO13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLETHYLSULFIDE
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=C(C=C4Br)OCO5)N=N1
InChI=1SC19H15BrN4O3Sc122819221816(232419)10534613(10)2117(2718)1171415(812(11)20)2692514h381721H29H21H3
MFCD01161328
ZINC000000650191
ZINC000000650192

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Available files

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