Vitas-M small molecule compound

1-[3-(methylsulfanyl)-6-(3-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509278
SMILES CSc1nnc2c(n1)OC(c1cccc(c1)[N+](=O)[O-])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 C19H15N5O4S MW 409.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O4S/c1-11(25)23-15-9-4-3-8-14(15)16-17(20-19(29-2)22-21-16)28-18(23)12-6-5-7-13(10-12)24(26)27/h3-10,18H,1-2H3
InChIKey
OEPQNMNHXDFSCK-UHFFFAOYSA-N
Synonyms

1(3(methylsulfanyl)6(3nitrophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(3NITROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)(N+)(=O)(O)
CSc1nnc2c(n1)OC(c1cccc(c1)(N+)(=O)(O))N(c1c2cccc1)C(=O)C
InChI=1SC19H15N5O4Sc111(25)2315943814(15)1617(2019(292)222116)2818(23)1265713(1012)24(26)27h31018H12H3
MFCD02376402
ZINC000001168946
ZINC000001168947

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Available files

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