Vitas-M small molecule compound
1-{6-[4-(benzyloxy)-3-ethoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521224
SMILES CCOc1cc(ccc1OCc1ccccc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)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 C29H28N4O4S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S/c1-4-25(34)33-22-14-10-9-13-21(22)26-27(30-29(38-3)32-31-26)37-28(33)20-15-16-23(24(17-20)35-5-2)36-18-19-11-7-6-8-12-19/h6-17,28H,4-5,18H2,1-3H3InChIKey
DCCKIBKIKCMXQH-UHFFFAOYSA-NSynonyms
1(6(3ETHOXY4PHENYLMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
1(6(4(benzyloxy)3ethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
6(4(BENZYLOXY)3ETHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC
InChI=1SC29H28N4O4Sc1425(34)3322141091321(22)2627(3029(383)323126)3728(33)20151623(24(1720)3552)361819117681219h61728H4518H213H3
MFCD03080377
ZINC000000684473
ZINC000000684474
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