Vitas-M small molecule compound
1-[10-bromo-3-(methylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509467
SMILES CSc1nnc2c(n1)OC(c1cc3OCOc3cc1[N+](=O)[O-])N(c1c2cc(Br)cc1)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 C20H14BrN5O6S MW 532.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN5O6S/c1-9(27)25-13-4-3-10(21)5-11(13)17-18(22-20(33-2)24-23-17)32-19(25)12-6-15-16(31-8-30-15)7-14(12)26(28)29/h3-7,19H,8H2,1-2H3InChIKey
HWSHNKXLAFPMRY-UHFFFAOYSA-NSynonyms
1(10bromo3(methylsulfanyl)6(6nitro13benzodioxol5yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO3METHYLSULFANYL6(6NITRO13BENZODIOXOL5YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=CC5=C(C=C4(N+)(=O)(O))OCO5
CSc1nnc2c(n1)OC(c1cc3OCOc3cc1(N+)(=O)(O))N(c1c2cc(Br)cc1)C(=O)C
InChI=1SC20H14BrN5O6Sc19(27)25134310(21)511(13)1718(2220(332)242317)3219(25)1261516(3183015)714(12)26(28)29h3719H8H212H3
MFCD03999931
ZINC000002840256
ZINC000002840257
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