Vitas-M small molecule compound

1-[6-(4-ethoxy-3-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521027
SMILES CCOc1ccc(cc1C)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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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 C23H24N4O3S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O3S/c1-5-19(28)27-17-10-8-7-9-16(17)20-21(24-23(31-4)26-25-20)30-22(27)15-11-12-18(29-6-2)14(3)13-15/h7-13,22H,5-6H2,1-4H3
InChIKey
JXZQINLPHRKCPQ-UHFFFAOYSA-N
Synonyms

1(6(4ethoxy3methylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(4ETHOXY3METHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OCC)C
ETHYL2METHYL4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHER
InChI=1SC23H24N4O3Sc1519(28)27171087916(17)2021(2423(314)262520)3022(27)15111218(2962)14(3)1315h71322H56H214H3
MFCD02376915
ZINC000000684462
ZINC000000684463

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Available files

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