Vitas-M small molecule compound
1-[6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509530
SMILES CCOc1ccc(cc1OC)C1Oc2nc(SC)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-5-29-17-11-10-14(12-18(17)28-3)21-26(13(2)27)16-9-7-6-8-15(16)19-20(30-21)23-22(31-4)25-24-19/h6-12,21H,5H2,1-4H3InChIKey
CBVHOIKBOHZGSA-UHFFFAOYSA-NSynonyms
1(6(4ethoxy3methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHOXY3METHOXYPHENYL)3(METHYLTHIO)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(4ETHOXY3METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC
InChI=1SC22H22N4O4Sc152917111014(1218(17)283)2126(13(2)27)16976815(16)1920(3021)2322(314)252419h61221H5H214H3
MFCD02376458
ZINC000006577422
ZINC000006577423
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