Vitas-M small molecule compound
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK326347
SMILES CCC(=O)N1c2ccccc2c2c(OC1c1c(C)nn(c1Cl)c1ccccc1)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 C24H21ClN6O2S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN6O2S/c1-4-18(32)30-17-13-9-8-12-16(17)20-22(26-24(34-3)28-27-20)33-23(30)19-14(2)29-31(21(19)25)15-10-6-5-7-11-15/h5-13,23H,4H2,1-3H3InChIKey
NFWMSNURFMWEBB-UHFFFAOYSA-NSynonyms
1(6(5chloro3methyl1phenyl1Hpyrazol4yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5CHLORO3METHYL1PHENYLPYRAZOL4YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(N(N=C4C)C5=CC=CC=C5)Cl
InChI=1SC24H21ClN6O2Sc1418(32)301713981216(17)2022(2624(343)282720)3323(30)1914(2)2931(21(19)25)15106571115h51323H4H213H3
MFCD03080321
ZINC000000684303
ZINC000000684304
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Check stock on Vitas-MAvailable files
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