Vitas-M small molecule compound
1-{10-chloro-6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK522010
SMILES CSc1nnc2c(n1)OC(c1ccc(cc1)N(C)C)N(c1c2cc(Cl)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 C21H20ClN5O2S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2S/c1-12(28)27-17-10-7-14(22)11-16(17)18-19(23-21(30-4)25-24-18)29-20(27)13-5-8-15(9-6-13)26(2)3/h5-11,20H,1-4H3InChIKey
SMFIKXKDNWZDFL-UHFFFAOYSA-NSynonyms
1(10chloro6(4(dimethylamino)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10chloro6(4(dimethylamino)phenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
1(10CHLORO6(4DIMETHYLAMINOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Cl)N=NC(=N2)SC)C4=CC=C(C=C4)N(C)C
InChI=1SC21H20ClN5O2Sc112(28)271710714(22)1116(17)1819(2321(304)252418)2920(27)135815(9613)26(2)3h51120H14H3
MFCD04090699
N(4(7ACETYL10CHLORO3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)NNDIMETHYLAMINE
ZINC000000684874
ZINC000000684875
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