Vitas-M small molecule compound
2-chloro-6-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STL169865
SMILES CCOc1cc(cc(c1O)Cl)C1Nc2ccccc2c2c(O1)nc(SCC)nn2
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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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-3-27-15-10-11(9-13(21)17(15)26)18-22-14-8-6-5-7-12(14)16-19(28-18)23-20(25-24-16)29-4-2/h5-10,18,22,26H,3-4H2,1-2H3InChIKey
BKLQMZBFKJKPDD-UHFFFAOYSA-NSynonyms
2chloro6ethoxy4(3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2CHLORO6ETHOXY4(3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)Cl)O
InChI=1SC20H19ClN4O3Sc1327151011(913(21)17(15)26)182214865712(14)1619(2818)2320(252416)2942h510182226H34H212H3
MFCD01834805
ZINC000002745950
ZINC000002745951
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