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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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-L-alaninamide

Catalog ID
STL551489
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCc2nnc3n2cccc3)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 C31H34N6O6 MW 586.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N6O6/c1-17(31(40)32-16-27-36-35-26-8-6-7-13-37(26)27)33-23-12-10-20-21(15-24(23)39)22(34-18(2)38)11-9-19-14-25(41-3)29(42-4)30(43-5)28(19)20/h6-8,10,12-15,17,22H,9,11,16H2,1-5H3,(H,32,40)(H,33,39)(H,34,38)/t17-,22-/m0/s1
InChIKey
YYGWEYBYXLPJHZ-JTSKRJEESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((124)triazolo(43a)pyridin3ylmethyl)propanamide
(S)N((124)triazolo(43a)pyridin3ylmethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
127252700
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCc2nnc3n2cccc3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H34N6O6c117(31(40)3216273635268671337(26)27)332312102021(1524(23)39)22(3418(2)38)119191425(413)29(424)30(435)28(19)20h681012151722H91116H215H3(H3240)(H3339)(H3438)t1722m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((124)triazolo(43a)pyridin3ylmethyl)Lalaninamide
ZINC000604406031
ZINC604406031

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Available files

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

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