Vitas-M small molecule compound

1-{6-[2-(benzyloxy)-5-chlorophenyl]-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone

Catalog ID
STK520906
SMILES CCCSc1nnc2c(n1)OC(c1cc(Cl)ccc1OCc1ccccc1)N(c1c2cccc1)C(=O)C

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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 C28H25ClN4O3S MW 533.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O3S/c1-3-15-37-28-30-26-25(31-32-28)21-11-7-8-12-23(21)33(18(2)34)27(36-26)22-16-20(29)13-14-24(22)35-17-19-9-5-4-6-10-19/h4-14,16,27H,3,15,17H2,1-2H3
InChIKey
UVVLWHMCBBBDHU-UHFFFAOYSA-N
Synonyms

1(6(2(benzyloxy)5chlorophenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5chloro2phenylmethoxyphenyl)3propylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)C(=O)C)N=N1
InChI=1SC28H25ClN4O3Sc13153728302625(313228)2111781223(21)33(18(2)34)27(3626)221620(29)131424(22)35171995461019h4141627H31517H212H3
MFCD04230494
ZINC000101012896
ZINC000101012897

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Available files

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