Vitas-M small molecule compound
2-bromo-4-[3-(ethylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenyl propanoate
Catalog ID
STK522161
SMILES CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OC)OC(=O)CC)N(c1c2cccc1)C(=O)CC
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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 C25H25BrN4O5S MW 573.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O5S/c1-5-19(31)30-17-11-9-8-10-15(17)21-23(27-25(29-28-21)36-7-3)35-24(30)14-12-16(26)22(18(13-14)33-4)34-20(32)6-2/h8-13,24H,5-7H2,1-4H3InChIKey
ASDPMKGSDHWKHH-UHFFFAOYSA-NSynonyms
(2bromo4(3ethylsulfanyl7propanoyl6H(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenyl)propanoate
2bromo4(3(ethylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenylpropanoate
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC(=C(C(=C4)Br)OC(=O)CC)OC
InChI=1SC25H25BrN4O5Sc1519(31)301711981015(17)2123(2725(292821)3673)3524(30)141216(26)22(18(1314)334)3420(32)62h81324H57H214H3
MFCD13370990
ZINC000102389812
ZINC000102389815
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