Vitas-M small molecule compound
2-bromo-6-methoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK520987
SMILES CCC(=O)Oc1c(Br)cc(cc1OC)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)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 C24H23BrN4O5S MW 559.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN4O5S/c1-5-18(30)29-16-10-8-7-9-14(16)20-22(26-24(35-4)28-27-20)34-23(29)13-11-15(25)21(17(12-13)32-3)33-19(31)6-2/h7-12,23H,5-6H2,1-4H3InChIKey
AIHBTQZQIIMZRL-UHFFFAOYSA-NSynonyms
(2BROMO6METHOXY4(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
2bromo6methoxy4(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
2BROMO6METHOXY4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)Br)OC(=O)CC)OC
InChI=1SC24H23BrN4O5Sc1518(30)29161087914(16)2022(2624(354)282720)3423(29)131115(25)21(17(1213)323)3319(31)62h71223H56H214H3
MFCD02376753
ZINC000000684358
ZINC000000684359
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