Vitas-M small molecule compound
2-(1,3-benzoxazol-2-ylsulfanyl)-N'-{(3Z)-5-bromo-2-oxo-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3H-indol-3-ylidene}acetohydrazide
Catalog ID
STL015069
SMILES O=C(N/N=C\1/c2cc(Br)ccc2N(C1=O)CN1CC2(CC1CC(C2)(C)C)C)CSc1nc2c(o1)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 C28H30BrN5O3S MW 596.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrN5O3S/c1-27(2)11-18-12-28(3,14-27)15-33(18)16-34-21-9-8-17(29)10-19(21)24(25(34)36)32-31-23(35)13-38-26-30-20-6-4-5-7-22(20)37-26/h4-10,18H,11-16H2,1-3H3,(H,31,35)/b32-24-InChIKey
KDBOCECLKIZFHX-TZHWMEPESA-NSynonyms
519167-78-3(Z)2(benzo(d)oxazol2ylthio)N(5bromo2oxo1(((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)indolin3ylidene)acetohydrazide
2(13benzoxazol2ylsulfanyl)N((3Z)5bromo2oxo1((133trimethyl6azabicyclo(321)oct6yl)methyl)12dihydro3Hindol3ylidene)acetohydrazide
2(13BENZOXAZOL2YLSULFANYL)N((Z)(5BROMO2OXO1((335TRIMETHYL7AZABICYCLO(321)OCTAN7YL)METHYL)INDOL3YLIDENE)AMINO)ACETAMIDE
519167783
CC1(CC2CC(C1)(CN2CN3C4=C(C=C(C=C4)Br)C(=NNC(=O)CSC5=NC6=CC=CC=C6O5)C3=O)C)C
InChI=1SC28H30BrN5O3Sc127(2)11181228(31427)1533(18)1634219817(29)1019(21)24(25(34)36)323123(35)1338263020645722(20)3726h41018H1116H213H3(H3135)b3224
MFCD03312720
O=C(NN=C1c2cc(Br)ccc2N(C1=O)CN1CC2(CC1CC(C2)(C)C)C)CSc1nc2c(o1)cccc2
ZINC000102564892
Check stock
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Check stock on Vitas-MAvailable files
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