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Vitas-M small molecule compound

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

Catalog ID
STL544386
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)C(=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 C36H50N4O8 MW 666.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H50N4O8/c1-23(41)38-27-14-12-24-21-30(45-5)33(46-6)34(47-7)32(24)25-13-15-28(29(42)22-26(25)27)37-16-10-8-9-11-31(43)39-17-19-40(20-18-39)35(44)48-36(2,3)4/h13,15,21-22,27H,8-12,14,16-20H2,1-7H3,(H,37,42)(H,38,41)/t27-/m0/s1
InChIKey
OMJYNCZJQWVHLB-MHZLTWQESA-N
Synonyms
1574394-45-8
(S)tertbutyl4(6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
~(tert)butyl4(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
1574394458
75491645
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C
InChI=1SC36H50N4O8c123(41)38271412242130(455)33(466)34(477)32(24)25131528(29(42)2226(25)27)371610891131(43)39171940(201839)35(44)4836(23)4h1315212227H812141620H217H3(H3742)(H3841)t27m0s1
tertbutyl4(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)piperazine1carboxylate
ZINC000150653380
ZINC150653380

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Available files

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

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