Vitas-M small molecule compound
1-{3-[(2-chlorobenzyl)sulfanyl]-6-(3-ethoxy-4-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521935
SMILES CCOc1cc(ccc1OC)C1Oc2nc(nnc2c2c(N1C(=O)C)cccc2)SCc1ccccc1Cl
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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 C28H25ClN4O4S MW 549.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4S/c1-4-36-24-15-18(13-14-23(24)35-3)27-33(17(2)34)22-12-8-6-10-20(22)25-26(37-27)30-28(32-31-25)38-16-19-9-5-7-11-21(19)29/h5-15,27H,4,16H2,1-3H3InChIKey
DEMQAGZVPOTLCI-UHFFFAOYSA-NSynonyms
1(3((2chlorobenzyl)sulfanyl)6(3ethoxy4methoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3((2CHLOROPHENYL)METHYLSULFANYL)6(3ETHOXY4METHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3((2CHLOROBENZYL)SULFANYL)6(3ETHOXY4METHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl)C(=O)C)OC
InChI=1SC28H25ClN4O4Sc1436241518(131423(24)353)2733(17(2)34)2212861020(22)2526(3727)3028(323125)3816199571121(19)29h51527H416H213H3
MFCD03784981
ZINC000002114372
ZINC000002114375
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