Vitas-M small molecule compound
1-[6-(2,4-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980107
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1OC)OC
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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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-5-8-19(28)27-17-10-7-6-9-15(17)20-21(24-23(32-4)26-25-20)31-22(27)16-12-11-14(29-2)13-18(16)30-3/h6-7,9-13,22H,5,8H2,1-4H3InChIKey
RDPCDIUOTRRKHN-UHFFFAOYSA-NSynonyms
1(6(24dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(24DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(24DIMETHOXYPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=C(C=C4)OC)OC
InChI=1SC23H24N4O4Sc15819(28)27171076915(17)2021(2423(324)262520)3122(27)16121114(292)1318(16)303h6791322H58H214H3
MFCD02952144
ZINC000000684694
ZINC000000684695
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