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

Catalog ID
STL542822
SMILES COC(=O)[C@H](c1ccccc1)NC(=O)CCCCCNc1ccc2c(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 C36H43N3O8 MW 645.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8/c1-22(40)38-27-17-15-24-20-30(44-2)34(45-3)35(46-4)32(24)25-16-18-28(29(41)21-26(25)27)37-19-11-7-10-14-31(42)39-33(36(43)47-5)23-12-8-6-9-13-23/h6,8-9,12-13,16,18,20-21,27,33H,7,10-11,14-15,17,19H2,1-5H3,(H,37,41)(H,38,40)(H,39,42)/t2
InChIKey
ZYEWCCLDPCYVGK-CMVGPNDKSA-N
Synonyms

(S)methyl2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)2phenylacetate
110206676
COC(=O)(C@H)(c1ccccc1)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H43N3O8c122(40)38271715242030(442)34(453)35(464)32(24)25161828(29(41)2126(25)27)3719117101431(42)3933(36(43)475)23128691323h6891213161820212733H7101114151719H215H3(H3741)(H3840)(H3942)t2733m0s1
methyl(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)2phenylacetate
methyl(2S)((6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)amino)(phenyl)ethanoate
ZINC000253415193
ZINC253415193

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Available files

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

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