Vitas-M small molecule compound
1-[6-(4-propoxyphenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521903
SMILES CCCOc1ccc(cc1)C1Oc2nc(SCCC)nnc2c2c(N1C(=O)C)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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-4-14-30-18-12-10-17(11-13-18)23-28(16(3)29)20-9-7-6-8-19(20)21-22(31-23)25-24(27-26-21)32-15-5-2/h6-13,23H,4-5,14-15H2,1-3H3InChIKey
SAHJMRAOWGNCIM-UHFFFAOYSA-NSynonyms
1(6(4propoxyphenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4PROPOXYPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCOC1=CC=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCCC)C(=O)C
InChI=1SC24H26N4O3Sc14143018121017(111318)2328(16(3)29)20976819(20)2122(3123)2524(272621)321552h61323H451415H213H3
MFCD03717049
ZINC000002821960
ZINC000002821961
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