Vitas-M small molecule compound
1-{6-[4-(cyclopentyloxy)phenyl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK522158
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)OC1CCCC1)N(c1c2cccc1)C(=O)C
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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-3-33-25-26-23-22(27-28-25)20-10-6-7-11-21(20)29(16(2)30)24(32-23)17-12-14-19(15-13-17)31-18-8-4-5-9-18/h6-7,10-15,18,24H,3-5,8-9H2,1-2H3InChIKey
DRFIYBAODSPBGD-UHFFFAOYSA-NSynonyms
1(6(4(cyclopentyloxy)phenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4CYCLOPENTYLOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OC5CCCC5)C(=O)C)N=N1
InChI=1SC25H26N4O3Sc133325262322(272825)2010671121(20)29(16(2)30)24(3223)17121419(151317)3118845918h6710151824H3589H212H3
MFCD13370988
ZINC000003653346
ZINC000003653347
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