Vitas-M small molecule compound
[6-(2-ethoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521249
SMILES CCOc1ccc2c(c1C1Oc3nc(SC)nnc3c3c(N1C(=O)c1ccccc1)cccc3)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 C30H24N4O3S MW 520.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N4O3S/c1-3-36-24-18-17-19-11-7-8-14-21(19)25(24)29-34(28(35)20-12-5-4-6-13-20)23-16-10-9-15-22(23)26-27(37-29)31-30(38-2)33-32-26/h4-18,29H,3H2,1-2H3InChIKey
RDAJASBQGCMPAX-UHFFFAOYSA-NSynonyms
(6(2ethoxynaphthalen1yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(2ETHOXYNAPHTHALEN1YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(2ETHOXY1NAPHTHYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C2=CC=CC=C2C=C1)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C6=CC=CC=C6
InChI=1SC30H24N4O3Sc13362418171911781421(19)25(24)2934(28(35)20125461320)23161091522(23)2627(3729)3130(382)333226h41829H3H212H3
MFCD03080470
ZINC000002113899
ZINC000008396986
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