Vitas-M small molecule compound
1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521504
SMILES CCSc1nnc2c(n1)OC(c1cccc(c1OCc1ccccc1)OC)N(c1c2cccc1)C(=O)CC
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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/c1-4-24(34)33-22-16-10-9-14-20(22)25-27(30-29(32-31-25)38-5-2)37-28(33)21-15-11-17-23(35-3)26(21)36-18-19-12-7-6-8-13-19/h6-17,28H,4-5,18H2,1-3H3InChIKey
NWWGENDMOAUHJY-UHFFFAOYSA-NSynonyms
1(3ETHYLSULFANYL6(3METHOXY2PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
1(6(2(benzyloxy)3methoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
6(2(BENZYLOXY)3METHOXYPHENYL)3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5
InChI=1SC29H28N4O4Sc1424(34)3322161091420(22)2527(3029(323125)3852)3728(33)2115111723(353)26(21)361819127681319h61728H4518H213H3
MFCD03235559
ZINC000000684753
ZINC000000684754
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