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tert-butyl (1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycyl}piperidin-4-yl)carbamate

Catalog ID
STL541714
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)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 C33H44N4O8 MW 624.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O8/c1-19(38)35-24-10-8-20-16-27(42-5)30(43-6)31(44-7)29(20)22-9-11-25(26(39)17-23(22)24)34-18-28(40)37-14-12-21(13-15-37)36-32(41)45-33(2,3)4/h9,11,16-17,21,24H,8,10,12-15,18H2,1-7H3,(H,34,39)(H,35,38)(H,36,41)/t24-/m0/s1
InChIKey
BHODZQAOSUAUGG-DEOSSOPVSA-N
Synonyms
1574353-31-3
(S)tertbutyl(1(2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetyl)piperidin4yl)carbamate
~(tert)butyl~(N)(1(2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetyl)piperidin4yl)carbamate
1574353313
75491008
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)NC(=O)C
InChI=1SC33H44N4O8c119(38)3524108201627(425)30(436)31(447)29(20)2291125(26(39)1723(22)24)341828(40)37141221(131537)3632(41)4533(23)4h91116172124H810121518H217H3(H3439)(H3538)(H3641)t24m0s1
tertbutyl(1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycyl)piperidin4yl)carbamate
ZINC000108447450
ZINC108447450

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Available files

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

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