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

Catalog ID
STL541531
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)NC(=O)C)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C34H40N4O7 MW 616.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N4O7/c1-18(2)31(34(42)37-23-11-9-22(10-12-23)35-19(3)39)38-27-15-13-24-25(17-28(27)41)26(36-20(4)40)14-8-21-16-29(43-5)32(44-6)33(45-7)30(21)24/h9-13,15-18,26,31H,8,14H2,1-7H3,(H,35,39)(H,36,40)(H,37,42)(H,38,41)/t26-,31-/m0/s1
InChIKey
CUYRWMXIWNCVDB-HVNZXBJASA-N
Synonyms
1574342-78-1
(2~(S))~(N)(4acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4acetamidophenyl)3methylbutanamide
1574342781
75491256
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc(cc2)NC(=O)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H40N4O7c118(2)31(34(42)372311922(101223)3519(3)39)382715132425(1728(27)41)26(3620(4)40)148211629(435)32(446)33(457)30(21)24h91315182631H814H217H3(H3539)(H3640)(H3742)(H3841)t2631m0s1
N(4(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalinamide
ZINC000108448122
ZINC108448122

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Available files

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

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