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-1H-indol-5-yl-L-isoleucinamide
Catalog ID
STL547425
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)cc[nH]2)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 C35H40N4O6 MW 612.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O6/c1-7-19(2)32(35(42)38-23-9-12-26-21(16-23)14-15-36-26)39-28-13-10-24-25(18-29(28)41)27(37-20(3)40)11-8-22-17-30(43-4)33(44-5)34(45-6)31(22)24/h9-10,12-19,27,32,36H,7-8,11H2,1-6H3,(H,37,40)(H,38,42)(H,39,41)/t19-,27+,32+/m1/s1InChIKey
UTPHGDHGFUDDCN-CKTVZQCPSA-NSynonyms
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol5yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol5yl)3methylpentanamide
121541338
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)cc(nH)2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H40N4O6c1719(2)32(35(42)38239122621(1623)14153626)392813102425(1829(28)41)27(3720(3)40)118221730(434)33(445)34(456)31(22)24h9101219273236H7811H216H3(H3740)(H3842)(H3941)t1927+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol5ylLisoleucinamide
ZINC000263586472
ZINC263586472
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.