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

Catalog ID
STL541553
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=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 C37H52N4O8 MW 680.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H52N4O8/c1-23(42)39-28-14-12-24-21-31(46-5)34(47-6)35(48-7)33(24)26-13-15-29(30(43)22-27(26)28)38-18-10-8-9-11-32(44)41-19-16-25(17-20-41)40-36(45)49-37(2,3)4/h13,15,21-22,25,28H,8-12,14,16-20H2,1-7H3,(H,38,43)(H,39,42)(H,40,45)/t28-/m0/s1
InChIKey
WRNWYPUOVMYKSB-NDEPHWFRSA-N
Synonyms
1574390-30-9
(S)tertbutyl(1(6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperidin4yl)carbamate
~(tert)butyl~(N)(1(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoyl)piperidin4yl)carbamate
1574390309
75492277
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)NC(=O)C
InChI=1SC37H52N4O8c123(42)39281412242131(465)34(476)35(487)33(24)26131529(30(43)2227(26)28)381810891132(44)41191625(172041)4036(45)4937(23)4h131521222528H812141620H217H3(H3843)(H3942)(H4045)t28m0s1
tertbutyl(1(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperidin4yl)carbamate
ZINC000150653718
ZINC150653718

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Available files

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

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