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methyl (2S)-[(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)amino](phenyl)ethanoate

Catalog ID
STL543390
SMILES COC(=O)[C@H](c1ccccc1)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C34H39N3O8 MW 617.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8/c1-20(38)36-25-15-13-22-18-28(42-2)32(43-3)33(44-4)30(22)23-14-16-26(27(39)19-24(23)25)35-17-9-12-29(40)37-31(34(41)45-5)21-10-7-6-8-11-21/h6-8,10-11,14,16,18-19,25,31H,9,12-13,15,17H2,1-5H3,(H,35,39)(H,36,38)(H,37,40)/t25-,31-/m0/s1
InChIKey
AXMSOJKLYWPBSI-FKAPRUDGSA-N
Synonyms

(S)methyl2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)2phenylacetate
110207403
COC(=O)(C@H)(c1ccccc1)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H39N3O8c120(38)36251513221828(422)32(433)33(444)30(22)23141626(27(39)1924(23)25)351791229(40)3731(34(41)455)21107681121h681011141618192531H912131517H215H3(H3539)(H3638)(H3740)t2531m0s1
methyl(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)2phenylacetate
methyl(2S)((4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)amino)(phenyl)ethanoate
ZINC000253396238
ZINC253396238

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Available files

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

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