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-isoleucylglycinate
Catalog ID
STL543197
SMILES COC(=O)CNC(=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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-8-16(2)27(30(37)31-15-25(36)39-5)33-22-12-10-19-20(14-23(22)35)21(32-17(3)34)11-9-18-13-24(38-4)28(40-6)29(41-7)26(18)19/h10,12-14,16,21,27H,8-9,11,15H2,1-7H3,(H,31,37)(H,32,34)(H,33,35)/t16-,21-,27-/m0/s1InChIKey
IOETUSYKVJVIES-PQXCKQOFSA-NSynonyms
110207332
COC(=O)CNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8c1816(2)27(30(37)311525(36)395)332212101920(1423(22)35)21(3217(3)34)119181324(384)28(406)29(417)26(18)19h101214162127H891115H217H3(H3137)(H3234)(H3335)t162127m0s1
methyl2(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)acetate
methyl2((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)acetate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucylglycinate
ZINC000253405904
ZINC253405904
Check stock
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Check stock on Vitas-MAvailable files
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