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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-[(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]butanamide

Catalog ID
STL545819
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC(c2nccn2C)c2ccccc2)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 C36H41N5O6 MW 639.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N5O6/c1-22(42)39-27-15-13-24-20-30(45-3)34(46-4)35(47-5)32(24)25-14-16-28(29(43)21-26(25)27)37-17-9-12-31(44)40-33(23-10-7-6-8-11-23)36-38-18-19-41(36)2/h6-8,10-11,14,16,18-21,27,33H,9,12-13,15,17H2,1-5H3,(H,37,43)(H,39,42)(H,40,44)/t27-,33
InChIKey
RBKAKTGJTGYNRC-GFDSEFBSSA-N
Synonyms

121541610
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1methylimidazol2yl)phenylmethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Himidazol2yl)(phenyl)methyl)butanamide
4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Himidazol2yl)(phenyl)methyl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NC(c2nccn2C)c2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC36H41N5O6c122(42)39271513242030(453)34(464)35(475)32(24)25141628(29(43)2126(25)27)371791231(44)4033(23107681123)3638181941(36)2h681011141618212733H912131517H215H3(H3743)(H3942)(H4044)t2733?m0s1
ZINC000263586188
ZINC000263586189

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Available files

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

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