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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{3-[2-(dimethylamino)ethoxy]phenyl}butanamide

Catalog ID
STL551563
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)OCCN(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 C35H44N4O7 MW 632.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N4O7/c1-22(40)37-28-14-12-23-19-31(43-4)34(44-5)35(45-6)33(23)26-13-15-29(30(41)21-27(26)28)36-16-8-11-32(42)38-24-9-7-10-25(20-24)46-18-17-39(2)3/h7,9-10,13,15,19-21,28H,8,11-12,14,16-18H2,1-6H3,(H,36,41)(H,37,40)(H,38,42)/t28-/m0/s1
InChIKey
FBVWCKLRMMTDNI-NDEPHWFRSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2(dimethylamino)ethoxy)phenyl)butanamide
127253621
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(2(dimethylamino)ethoxy)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2(dimethylamino)ethoxy)phenyl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)OCCN(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H44N4O7c122(40)37281412231931(434)34(445)35(456)33(23)26131529(30(41)2127(26)28)361681132(42)3824971025(2024)46181739(2)3h79101315192128H81112141618H216H3(H3641)(H3740)(H3842)t28m0s1
ZINC000604403931
ZINC604403931

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Available files

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

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