Vitas-M small molecule compound

1-[6-(2-chloro-4,5-dimethoxyphenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK520903
SMILES CCCSc1nnc2c(n1)OC(c1cc(OC)c(cc1Cl)OC)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 C23H23ClN4O4S MW 486.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O4S/c1-5-10-33-23-25-21-20(26-27-23)14-8-6-7-9-17(14)28(13(2)29)22(32-21)15-11-18(30-3)19(31-4)12-16(15)24/h6-9,11-12,22H,5,10H2,1-4H3
InChIKey
KGRXBWBRGCDOKS-UHFFFAOYSA-N
Synonyms

1(6(2chloro45dimethoxyphenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2CHLORO45DIMETHOXYPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2CHLORO45DIMETHOXYPHENYL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4Cl)OC)OC)C(=O)C)N=N1
InChI=1SC23H23ClN4O4Sc15103323252120(262723)14867917(14)28(13(2)29)22(3221)151118(303)19(314)1216(15)24h69111222H510H214H3
MFCD02168435
ZINC000002087237
ZINC000002087239

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Available files

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