Vitas-M small molecule compound
1-{6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK980037
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OCC)OCC=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 C27H29BrN4O4S MW 585.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN4O4S/c1-5-8-14-37-27-29-25-23(30-31-27)19-11-9-10-12-21(19)32(17(4)33)26(36-25)18-15-20(28)24(35-13-6-2)22(16-18)34-7-3/h6,9-12,15-16,26H,2,5,7-8,13-14H2,1,3-4H3InChIKey
HTSDKVRXUFGLLD-UHFFFAOYSA-NSynonyms
1(6(3bromo5ethoxy4(prop2en1yloxy)phenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMO5ETHOXY4PROP2ENOXYPHENYL)3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(4(ALLYLOXY)3BROMO5ETHOXYPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)OCC=C)OCC)C(=O)C)N=N1
InChI=1SC27H29BrN4O4Sc158143727292523(303127)19119101221(19)32(17(4)33)26(3625)181520(28)24(351362)22(1618)3473h6912151626H25781314H2134H3
MFCD02182606
ZINC000002094672
ZINC000002094674
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