Vitas-M small molecule compound

10-bromo-3-(propylsulfanyl)-6-(pyridin-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK327046
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)c1cccnc1

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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 C18H16BrN5OS MW 430.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN5OS/c1-2-8-26-18-22-17-15(23-24-18)13-9-12(19)5-6-14(13)21-16(25-17)11-4-3-7-20-10-11/h3-7,9-10,16,21H,2,8H2,1H3
InChIKey
ZGIBXDQYXQOWEV-UHFFFAOYSA-N
Synonyms

10bromo3(propylsulfanyl)6(pyridin3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
10BROMO3PROPYLSULFANYL6PYRIDIN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CN=CC=C4)N=N1
InChI=1SC18H16BrN5OSc1282618221715(232418)13912(19)5614(13)2116(2517)11437201011h379101621H28H21H3
MFCD03719072
ZINC000009557711
ZINC000009557713

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.