Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(2-nitrophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509281
SMILES CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1[N+](=O)[O-]
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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)23-14-9-5-3-7-12(14)16-17(20-19(29-2)22-21-16)28-18(23)13-8-4-6-10-15(13)24(26)27/h3-10,18H,1-2H3InChIKey
HWIVMYFHFOOKLQ-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(2nitrophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(2NITROPHENYL)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(N(c1c2cccc1)C(=O)C)c1ccccc1(N+)(=O)(O)
InChI=1SC19H15N5O4Sc111(25)2314953712(14)1617(2019(292)222116)2818(23)138461015(13)24(26)27h31018H12H3
MFCD02376404
ZINC000001169089
ZINC000001169090
Check stock
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