Vitas-M small molecule compound
1-{6-[3-(cyclopentyloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK521960
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccc(c1)OC1CCCC1
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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/c1-3-21(30)29-20-14-7-6-13-19(20)22-23(26-25(33-2)28-27-22)32-24(29)16-9-8-12-18(15-16)31-17-10-4-5-11-17/h6-9,12-15,17,24H,3-5,10-11H2,1-2H3InChIKey
WOEHIEIQBXJCPI-UHFFFAOYSA-NSynonyms
1(6(3(cyclopentyloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3CYCLOPENTYLOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3(CYCLOPENTYLOXY)PHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC5CCCC5
InChI=1SC25H26N4O3Sc1321(30)292014761319(20)2223(2625(332)282722)3224(29)16981218(1516)311710451117h6912151724H351011H212H3
MFCD03864531
ZINC000000684894
ZINC000000684895
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