Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl-beta-alaninate
Catalog ID
STL578911
SMILES COC(=O)CCNC(=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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-8-17(2)28(31(38)32-14-13-26(37)40-5)34-23-12-10-20-21(16-24(23)36)22(33-18(3)35)11-9-19-15-25(39-4)29(41-6)30(42-7)27(19)20/h10,12,15-17,22,28H,8-9,11,13-14H2,1-7H3,(H,32,38)(H,33,35)(H,34,36)/t17-,22+,28+/m1/s1InChIKey
YBLKQFGMUQQJEH-IWWVAPJASA-NSynonyms
COC(=O)CCNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H41N3O8c1817(2)28(31(38)32141326(37)405)342312102021(1624(23)36)22(3318(3)35)119191525(394)29(416)30(427)27(19)20h101215172228H89111314H217H3(H3238)(H3335)(H3436)t1722+28+m1s1
methyl3((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucylbetaalaninate
MFCD33397331
Check stock
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Check stock on Vitas-MAvailable files
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