Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]glycinamide

Catalog ID
STL545974
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)Nc2cccc(c2)c2nnn(n2)C)NC(=O)C)cc(c1OC)OC

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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 C31H33N7O6 MW 599.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N7O6/c1-17(39)33-23-11-9-18-14-26(42-3)29(43-4)30(44-5)28(18)21-10-12-24(25(40)15-22(21)23)32-16-27(41)34-20-8-6-7-19(13-20)31-35-37-38(2)36-31/h6-8,10,12-15,23H,9,11,16H2,1-5H3,(H,32,40)(H,33,39)(H,34,41)/t23-/m0/s1
InChIKey
KGDFIAROCHJUST-QHCPKHFHSA-N
Synonyms
1676109-62-8
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2methyl2Htetrazol5yl)phenyl)acetamide
1676109628
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(2methyltetrazol5yl)phenyl)acetamide
99998776
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)Nc2cccc(c2)c2nnn(n2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H33N7O6c117(39)3323119181426(423)29(434)30(445)28(18)21101224(25(40)1522(21)23)321627(41)342086719(1320)31353738(2)3631h6810121523H91116H215H3(H3240)(H3339)(H3441)t23m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2methyl2Htetrazol5yl)phenyl)glycinamide
ZINC000217968949
ZINC217968949

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.