Vitas-M small molecule compound

6-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycyl}amino)hexanoic acid

Catalog ID
STL548241
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)NCCCCCC(=O)O)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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-17(33)32-21-11-9-18-14-24(38-2)28(39-3)29(40-4)27(18)19-10-12-22(23(34)15-20(19)21)31-16-25(35)30-13-7-5-6-8-26(36)37/h10,12,14-15,21H,5-9,11,13,16H2,1-4H3,(H,30,35)(H,31,34)(H,32,33)(H,36,37)/t21-/m0/s1
InChIKey
ZIXGSUNDDWIXDT-NRFANRHFSA-N
Synonyms

(S)6(2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamido)hexanoicacid
121541937
6((2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetyl)amino)hexanoicacid
6((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycyl)amino)hexanoicacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)NCCCCCC(=O)O)NC(=O)C)cc(c1OC)OC
InChI=1SC29H37N3O8c117(33)3221119181424(382)28(393)29(404)27(18)19101222(23(34)1520(19)21)311625(35)3013756826(36)37h1012141521H59111316H214H3(H3035)(H3134)(H3233)(H3637)t21m0s1
ZINC000263586894
ZINC263586894

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Available files

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