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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(4-hydroxyphenyl)ethyl]-L-valinamide

Catalog ID
STL540130
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCc2ccc(cc2)O)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C34H41N3O7 MW 603.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O7/c1-19(2)31(34(41)35-16-15-21-7-10-23(39)11-8-21)37-27-14-12-24-25(18-28(27)40)26(36-20(3)38)13-9-22-17-29(42-4)32(43-5)33(44-6)30(22)24/h7-8,10-12,14,17-19,26,31,39H,9,13,15-16H2,1-6H3,(H,35,41)(H,36,38)(H,37,40)/t26-,31-/m0/s1
InChIKey
HOCKUCGKBZPROZ-HVNZXBJASA-N
Synonyms
1574346-13-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(4hydroxyphenyl)ethyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4hydroxyphenethyl)3methylbutanamide
1574346136
75491535
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCc2ccc(cc2)O)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H41N3O7c119(2)31(34(41)3516152171023(39)11821)372714122425(1828(27)40)26(3620(3)38)139221729(424)32(435)33(446)30(22)24h781012141719263139H9131516H216H3(H3541)(H3638)(H3740)t2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4hydroxyphenyl)ethyl)Lvalinamide
ZINC000108448877
ZINC108448877

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Available files

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

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