Vitas-M small molecule compound
1-[6-(2,6-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521250
SMILES CSc1nnc2c(n1)OC(c1c(Cl)cccc1Cl)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 C20H16Cl2N4O2S MW 447.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N4O2S/c1-3-15(27)26-14-10-5-4-7-11(14)17-18(23-20(29-2)25-24-17)28-19(26)16-12(21)8-6-9-13(16)22/h4-10,19H,3H2,1-2H3InChIKey
INRQVNBKPXLVSV-UHFFFAOYSA-NSynonyms
1(6(26dichlorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(26DICHLOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(26DICHLOROPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC=C4Cl)Cl
InChI=1SC20H16Cl2N4O2Sc1315(27)26141054711(14)1718(2320(292)252417)2819(26)1612(21)86913(16)22h41019H3H212H3
MFCD03080332
ZINC000000684346
ZINC000000684347
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