Vitas-M small molecule compound
1-{6-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521112
SMILES CCOc1cc(cc(c1OCc1ccccc1)I)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 C29H27IN4O4S MW 654.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27IN4O4S/c1-4-24(35)34-22-14-10-9-13-20(22)25-27(31-29(39-3)33-32-25)38-28(34)19-15-21(30)26(23(16-19)36-5-2)37-17-18-11-7-6-8-12-18/h6-16,28H,4-5,17H2,1-3H3InChIKey
IFXJSCMTHFSIQD-UHFFFAOYSA-NSynonyms
1(6(3ETHOXY5IODO4PHENYLMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
1(6(4(benzyloxy)3ethoxy5iodophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
6(4(BENZYLOXY)3ETHOXY5IODOPHENYL)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)I)OCC5=CC=CC=C5)OCC
InChI=1SC29H27IN4O4Sc1424(35)3422141091320(22)2527(3129(393)333225)3828(34)191521(30)26(23(1619)3652)371718117681218h61628H4517H213H3
MFCD02952068
ZINC000008396457
ZINC000008396462
Check stock
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Check stock on Vitas-MAvailable files
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