Vitas-M small molecule compound
1-[6-(3,4-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521865
SMILES CCSc1nnc2c(n1)OC(c1ccc(c(c1)OC)OC)N(c1c2cccc1)C(=O)C
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-5-31-22-23-20-19(24-25-22)15-8-6-7-9-16(15)26(13(2)27)21(30-20)14-10-11-17(28-3)18(12-14)29-4/h6-12,21H,5H2,1-4H3InChIKey
GGYRFXQSLSNJAJ-UHFFFAOYSA-NSynonyms
1(6(34dimethoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(34DIMETHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC)OC)C(=O)C)N=N1
InChI=1SC22H22N4O4Sc153122232019(242522)15867916(15)26(13(2)27)21(3020)14101117(283)18(1214)294h61221H5H214H3
MFCD13370908
ZINC000003640699
ZINC000003640702
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