Vitas-M small molecule compound

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

Catalog ID
STL540139
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=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 C35H48N4O8 MW 652.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H48N4O8/c1-21(40)37-26-12-10-22-19-29(44-5)32(45-6)33(46-7)31(22)24-11-13-27(28(41)20-25(24)26)36-16-8-9-30(42)39-17-14-23(15-18-39)38-34(43)47-35(2,3)4/h11,13,19-20,23,26H,8-10,12,14-18H2,1-7H3,(H,36,41)(H,37,40)(H,38,43)/t26-/m0/s1
InChIKey
IREXLBYIZXPNNP-SANMLTNESA-N
Synonyms
1574338-09-2
(S)tertbutyl(1(4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)carbamate
~(tert)butyl~(N)(1(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)carbamate
1574338092
75491601
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)NC(=O)C
InChI=1SC35H48N4O8c121(40)37261210221929(445)32(456)33(467)31(22)24111327(28(41)2025(24)26)36168930(42)39171423(151839)3834(43)4735(23)4h111319202326H810121418H217H3(H3641)(H3740)(H3843)t26m0s1
tertbutyl(1(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)carbamate
ZINC000150653360
ZINC150653360

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Available files

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