Vitas-M small molecule compound

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

Catalog ID
STL541002
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc3c2cc[nH]3)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 C32H34N4O6 MW 570.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O6/c1-17(32(39)36-24-8-6-7-23-21(24)13-14-33-23)34-26-12-10-20-22(16-27(26)38)25(35-18(2)37)11-9-19-15-28(40-3)30(41-4)31(42-5)29(19)20/h6-8,10,12-17,25,33H,9,11H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)/t17-,25-/m0/s1
InChIKey
UAGKKGNOEFXODF-GKVSMKOHSA-N
Synonyms
1574355-56-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)indol4yl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hindol4yl)propanamide
1574355568
75492563
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc3c2cc(nH)3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H34N4O6c117(32(39)36248672321(24)13143323)342612102022(1627(26)38)25(3518(2)37)119191528(403)30(414)31(425)29(19)20h681012172533H911H215H3(H3438)(H3537)(H3639)t1725m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hindol4ylLalaninamide
ZINC000108451500
ZINC108451500

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Available files

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