Vitas-M small molecule compound
N'-[(3Z)-5-bromo-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-(4-methoxyphenoxy)acetohydrazide
Catalog ID
STL527191
SMILES COc1ccc(cc1)OCC(=O)N/N=C/1\C(=O)N(c2c1cc(Br)cc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C29H28BrN5O5 MW 606.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrN5O5/c1-39-21-6-8-22(9-7-21)40-16-26(36)31-32-28-23-12-20(30)5-10-25(23)35(29(28)38)17-33-13-18-11-19(15-33)24-3-2-4-27(37)34(24)14-18/h2-10,12,18-19H,11,13-17H2,1H3,(H,31,36)/b32-28-/t18-,19+/m0/s1InChIKey
DDOFOYDREXONKQ-ZWZYYQGRSA-NSynonyms
(Z)N(5bromo2oxo1(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)indolin3ylidene)2(4methoxyphenoxy)acetohydrazide
COc1ccc(cc1)OCC(=O)NN=C1C(=O)N(c2c1cc(Br)cc2)CN1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H28BrN5O5c139216822(9721)401626(36)313228231220(30)51025(23)35(29(28)38)173313181119(1533)2432427(37)34(24)1418h210121819H111317H21H3(H3136)b3228t1819+m0s1
MFCD03267775
N((3Z)5bromo2oxo1(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)12dihydro3Hindol3ylidene)2(4methoxyphenoxy)acetohydrazide
ZINC000104042600
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