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N-[(7S)-1,2,3-trimethoxy-10-({(2S)-3-methyl-1-oxo-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL546972
SMILES CC[C@H]([C@@H](C(=O)N1CCC(CC1)c1nnc2n1cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C38H46N6O6 MW 682.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N6O6/c1-7-22(2)34(38(47)43-18-15-24(16-19-43)37-42-41-32-10-8-9-17-44(32)37)40-29-14-12-26-27(21-30(29)46)28(39-23(3)45)13-11-25-20-31(48-4)35(49-5)36(50-6)33(25)26/h8-10,12,14,17,20-22,24,28,34H,7,11,13,15-16,18-19H2,1-6H3,(H,39,45)(H,40,4
InChIKey
OOEGIHLWKCWVJU-PQSJVPODSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4((124)triazolo(43a)pyridin3yl)piperidin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541148
CC(C@H)((C@@H)(C(=O)N1CCC(CC1)c1nnc2n1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H46N6O6c1722(2)34(38(47)43181524(161943)3742413210891744(32)37)402914122627(2130(29)46)28(3923(3)45)1311252031(484)35(495)36(506)33(25)26h8101214172022242834H7111315161819H216H3(H3945)(H4046)t2228+34+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4((124)triazolo(43a)pyridin3yl)piperidin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4((124)triazolo(43a)pyridin3yl)piperidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585982
ZINC263585982

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Available files

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