Vitas-M small molecule compound
1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509133
SMILES CSc1nnc2c(n1)OC(c1ccc(cc1)N(C)C)N(c1c2cccc1)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-13(27)26-17-8-6-5-7-16(17)18-19(22-21(29-4)24-23-18)28-20(26)14-9-11-15(12-10-14)25(2)3/h5-12,20H,1-4H3InChIKey
SUXFNINFUNMFPI-UHFFFAOYSA-NSynonyms
1(6(4(dimethylamino)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4(dimethylamino)phenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
1(6(4DIMETHYLAMINOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)NNDIMETHYLANILINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)N(C)C
InChI=1SC21H21N5O2Sc113(27)2617865716(17)1819(2221(294)242318)2820(26)1491115(121014)25(2)3h51220H14H3
MFCD01929854
ZINC000000683354
ZINC000000683355
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