Vitas-M small molecule compound
{6-[2-(hexyloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}(phenyl)methanone
Catalog ID
STK521660
SMILES CCCCCCOc1ccccc1C1Oc2nc(SC)nnc2c2c(N1C(=O)c1ccccc1)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 C30H30N4O3S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O3S/c1-3-4-5-13-20-36-25-19-12-10-17-23(25)29-34(28(35)21-14-7-6-8-15-21)24-18-11-9-16-22(24)26-27(37-29)31-30(38-2)33-32-26/h6-12,14-19,29H,3-5,13,20H2,1-2H3InChIKey
YSQLCJLRATURAN-UHFFFAOYSA-NSynonyms
(6(2(hexyloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(2HEXOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(2(HEXYLOXY)PHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5
InChI=1SC30H30N4O3Sc1345132036251912101723(25)2934(28(35)21147681521)24181191622(24)2627(3729)3130(382)333226h612141929H351320H212H3
MFCD03080551
ZINC000002114060
ZINC000002114062
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