Vitas-M small molecule compound
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenyl acetate
Catalog ID
STK521856
SMILES CCOc1cc(ccc1OC(=O)C)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 C24H24N4O5S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5S/c1-5-31-20-13-16(11-12-19(20)32-15(4)30)23-28(14(3)29)18-10-8-7-9-17(18)21-22(33-23)25-24(27-26-21)34-6-2/h7-13,23H,5-6H2,1-4H3InChIKey
PVDCYPLPCMZVMO-UHFFFAOYSA-NSynonyms
(4(7ACETYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYL)ACETATE
4(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)C(=O)C)OC(=O)C
InChI=1SC24H24N4O5Sc1531201316(111219(20)3215(4)30)2328(14(3)29)181087917(18)2122(3323)2524(272621)3462h71323H56H214H3
MFCD13370907
ZINC000003640739
ZINC000003640742
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