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-benzyl-N-methyl-L-isoleucinamide
Catalog ID
STL542430
SMILES CC[C@H]([C@@H](C(=O)N(Cc1ccccc1)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H43N3O6 MW 601.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O6/c1-8-21(2)32(35(41)38(4)20-23-12-10-9-11-13-23)37-28-17-15-25-26(19-29(28)40)27(36-22(3)39)16-14-24-18-30(42-5)33(43-6)34(44-7)31(24)25/h9-13,15,17-19,21,27,32H,8,14,16,20H2,1-7H3,(H,36,39)(H,37,40)/t21-,27+,32+/m1/s1InChIKey
RMBGORDEXAOOPL-BBQOZMKKSA-NSynonyms
1574390-66-1(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)benzyl~(N)3dimethylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)NbenzylN3dimethylpentanamide
1574390661
75491783
CC(C@H)((C@@H)(C(=O)N(Cc1ccccc1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H43N3O6c1821(2)32(35(41)38(4)202312109111323)372817152526(1929(28)40)27(3622(3)39)1614241830(425)33(436)34(447)31(24)25h913151719212732H8141620H217H3(H3639)(H3740)t2127+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NbenzylNmethylLisoleucinamide
ZINC000108449526
ZINC108449526
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.