Vitas-M small molecule compound

N-benzyl-3-{[(4-methoxyphenyl)carbonyl]amino}-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]benzamide

Catalog ID
STL538802
SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(=O)NCc1ccccc1

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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 C33H32N4O4 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4/c1-41-27-13-10-24(11-14-27)33(40)35-28-17-25(32(39)34-18-22-6-3-2-4-7-22)12-15-30(28)36-19-23-16-26(21-36)29-8-5-9-31(38)37(29)20-23/h2-15,17,23,26H,16,18-21H2,1H3,(H,34,39)(H,35,40)/t23-,26+/m0/s1
InChIKey
YZLPFQJUCZGKHK-JYFHCDHNSA-N
Synonyms

COc1ccc(cc1)C(=O)Nc1cc(ccc1N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C(=O)NCc1ccccc1
InChI=1SC33H32N4O4c14127131024(111427)33(40)35281725(32(39)3418226324722)121530(28)3619231626(2136)2985931(38)37(29)2023h215172326H161821H21H3(H3439)(H3540)t2326+m0s1
Nbenzyl3(((4methoxyphenyl)carbonyl)amino)4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzamide
Nbenzyl3(4methoxybenzamido)4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzamide
ZINC000085879802

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Available files

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