Vitas-M small molecule compound
1-[6-(6-methylpyridin-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521222
SMILES CSc1nnc2c(n1)OC(c1cccc(n1)C)N(c1c2cccc1)C(=O)CC
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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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-4-16(26)25-15-11-6-5-9-13(15)17-18(22-20(28-3)24-23-17)27-19(25)14-10-7-8-12(2)21-14/h5-11,19H,4H2,1-3H3InChIKey
VHUWJIZJWUCHOR-UHFFFAOYSA-NSynonyms
1(6(6methylpyridin2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(6METHYLPYRIDIN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(6METHYL2PYRIDINYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=NC(=CC=C4)C
InChI=1SC20H19N5O2Sc1416(26)25151165913(15)1718(2220(283)242317)2719(25)14107812(2)2114h51119H4H213H3
MFCD03080335
ZINC000000684354
ZINC000000684355
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