Vitas-M small molecule compound
1-[6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521041
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C20H16ClN5O4S MW 457.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O4S/c1-3-16(27)25-14-7-5-4-6-12(14)17-18(22-20(31-2)24-23-17)30-19(25)11-8-9-13(21)15(10-11)26(28)29/h4-10,19H,3H2,1-2H3InChIKey
FZRSZOQCGCFSOB-UHFFFAOYSA-NSynonyms
1(6(4chloro3nitrophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(4CHLORO3NITROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(4CHLORO3NITROPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC20H16ClN5O4Sc1316(27)2514754612(14)1718(2220(312)242317)3019(25)118913(21)15(1011)26(28)29h41019H3H212H3
MFCD02952008
ZINC000000684382
ZINC000000684383
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