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-(2-methoxyethyl)-L-isoleucinamide
Catalog ID
STL542763
SMILES COCCNC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
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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 C30H41N3O7 MW 555.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41N3O7/c1-8-17(2)27(30(36)31-13-14-37-4)33-23-12-10-20-21(16-24(23)35)22(32-18(3)34)11-9-19-15-25(38-5)28(39-6)29(40-7)26(19)20/h10,12,15-17,22,27H,8-9,11,13-14H2,1-7H3,(H,31,36)(H,32,34)(H,33,35)/t17-,22+,27+/m1/s1InChIKey
XJNSFUVATOOXPC-DCMIEBIUSA-NSynonyms
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2methoxyethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2methoxyethyl)3methylpentanamide
110206829
COCCNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H41N3O7c1817(2)27(30(36)311314374)332312102021(1624(23)35)22(3218(3)34)119191525(385)28(396)29(407)26(19)20h101215172227H89111314H217H3(H3136)(H3234)(H3335)t1722+27+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methoxyethyl)Lisoleucinamide
ZINC000253414396
ZINC253414396
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.