Vitas-M small molecule compound
1-[6-(3,4-diethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520905
SMILES CCOc1cc(ccc1OCC)C1Oc2nc(SCC)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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-5-30-19-13-12-16(14-20(19)31-6-2)23-28(15(4)29)18-11-9-8-10-17(18)21-22(32-23)25-24(27-26-21)33-7-3/h8-14,23H,5-7H2,1-4H3InChIKey
OSRNBBNQFYOTPF-UHFFFAOYSA-NSynonyms
1(6(34diethoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(34DIETHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(34DIETHOXYPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)C(=O)C)OCC
InChI=1SC24H26N4O4Sc153019131216(1420(19)3162)2328(15(4)29)1811981017(18)2122(3223)2524(272621)3373h81423H57H214H3
MFCD02168385
ZINC000000683723
ZINC000000683724
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