Vitas-M small molecule compound
2,4-dichloro-6-[7-propanoyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521685
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc(Cl)cc(c1OC(=O)CC)Cl
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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 C25H24Cl2N4O4S MW 547.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24Cl2N4O4S/c1-4-11-36-25-28-23-21(29-30-25)15-9-7-8-10-18(15)31(19(32)5-2)24(35-23)16-12-14(26)13-17(27)22(16)34-20(33)6-3/h7-10,12-13,24H,4-6,11H2,1-3H3InChIKey
UTKKZAWCLXHWRG-UHFFFAOYSA-NSynonyms
(24DICHLORO6(7PROPANOYL3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
24dichloro6(7propanoyl3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
24DICHLORO6(7PROPIONYL3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)CC)Cl)Cl)C(=O)CC)N=N1
InChI=1SC25H24Cl2N4O4Sc14113625282321(293025)159781018(15)31(19(32)52)24(3523)161214(26)1317(27)22(16)3420(33)63h710121324H4611H213H3
MFCD03271316
ZINC000002114092
ZINC000002114094
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