Vitas-M small molecule compound
1-[6-(2-chloro-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509272
SMILES COc1cc(c(cc1OC)Cl)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C21H19ClN4O4S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4S/c1-11(27)26-15-8-6-5-7-12(15)18-19(23-21(31-4)25-24-18)30-20(26)13-9-16(28-2)17(29-3)10-14(13)22/h5-10,20H,1-4H3InChIKey
LSXKPNCJVZJHNH-UHFFFAOYSA-NSynonyms
1(6(2chloro45dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2CHLORO45DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4Cl)OC)OC
InChI=1SC21H19ClN4O4Sc111(27)2615865712(15)1819(2321(314)252418)3020(26)13916(282)17(293)1014(13)22h51020H14H3
MFCD02376390
ZINC000002482036
ZINC000002482038
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