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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1H-indol-4-yl-L-isoleucinamide

Catalog ID
STL551445
SMILES CC[C@H]([C@@H](C(=O)Nc1cccc2c1cc[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)39-26-10-8-9-25-23(26)15-16-36-25)38-28-14-12-22-24(18-29(28)41)27(37-20(3)40)13-11-21-17-30(43-4)33(44-5)34(45-6)31(21)22/h8-10,12,14-19,27,32,36H,7,11,13H2,1-6H3,(H,37,40)(H,38,41)(H,39,42)/t19-,27+,32+/m1/s1
InChIKey
IJSXYKNXKLVXQG-CKTVZQCPSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol4yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol4yl)3methylpentanamide
127253887
CC(C@H)((C@@H)(C(=O)Nc1cccc2c1cc(nH)2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H40N4O6c1719(2)32(35(42)392610892523(26)15163625)382814122224(1829(28)41)27(3720(3)40)1311211730(434)33(445)34(456)31(21)22h810121419273236H71113H216H3(H3740)(H3841)(H3942)t1927+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol4ylLisoleucinamide
ZINC000604404025
ZINC604404025

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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