Vitas-M small molecule compound
1-[6-(2-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK326299
SMILES CCC(=O)N1c2ccccc2c2c(OC1c1c(OC)ccc3c1cccc3)nc(nn2)SC
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-4-20(30)29-18-12-8-7-11-17(18)22-23(26-25(33-3)28-27-22)32-24(29)21-16-10-6-5-9-15(16)13-14-19(21)31-2/h5-14,24H,4H2,1-3H3InChIKey
SUTNEJSFIYBFCD-UHFFFAOYSA-NSynonyms
1(6(2methoxynaphthalen1yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2METHOXYNAPHTHALEN1YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(2METHOXY1NAPHTHYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC5=CC=CC=C54)OC
InChI=1SC25H22N4O3Sc1420(30)291812871117(18)2223(2625(333)282722)3224(29)21161065915(16)131419(21)312h51424H4H213H3
MFCD02376758
ZINC000000684342
ZINC000000684343
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