Vitas-M small molecule compound
1-[10-bromo-3-(ethylsulfanyl)-6-[(1E)-1-phenylprop-1-en-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980248
SMILES CCSc1nnc2c(n1)OC(/C(=C/c1ccccc1)/C)N(c1c2cc(Br)cc1)C(=O)C
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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 C23H21BrN4O2S MW 497.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O2S/c1-4-31-23-25-21-20(26-27-23)18-13-17(24)10-11-19(18)28(15(3)29)22(30-21)14(2)12-16-8-6-5-7-9-16/h5-13,22H,4H2,1-3H3/b14-12+InChIKey
ADRJFFVKVUOLBE-WYMLVPIESA-NSynonyms
1(10bromo3(ethylsulfanyl)6((1E)1phenylprop1en2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO3ETHYLSULFANYL6((E)1PHENYLPROP1EN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10BROMO6(1METHYL2PHENYLVINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLETHYLSULFIDE
CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N(C(O2)C(=CC4=CC=CC=C4)C)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(C(=Cc1ccccc1)C)N(c1c2cc(Br)cc1)C(=O)C
InChI=1SC23H21BrN4O2Sc143123252120(262723)181317(24)101119(18)28(15(3)29)22(3021)14(2)12168657916h51322H4H213H3b1412+
MFCD03864525
ZINC000002122527
ZINC000002122530
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