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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-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-L-methioninamide

Catalog ID
STL549516
SMILES CSCC[C@@H](C(=O)N[C@H](c1nnc2n1cccc2)CC(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C37H46N6O6S MW 702.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N6O6S/c1-21(2)18-29(36-42-41-32-10-8-9-16-43(32)36)40-37(46)28(15-17-50-7)39-27-14-12-24-25(20-30(27)45)26(38-22(3)44)13-11-23-19-31(47-4)34(48-5)35(49-6)33(23)24/h8-10,12,14,16,19-21,26,28-29H,11,13,15,17-18H2,1-7H3,(H,38,44)(H,39,45)(H,40
InChIKey
ARUXUPKYRLAUQP-ZXRKZBAXSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)((1~(S))3methyl1((124)triazolo(43a)pyridin3yl)butyl)butanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)3methylbutyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
127253652
CSCC(C@@H)(C(=O)N(C@H)(c1nnc2n1cccc2)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N6O6Sc121(2)1829(3642413210891643(32)36)4037(46)28(1517507)392714122425(2030(27)45)26(3822(3)44)1311231931(474)34(485)35(496)33(23)24h8101214161921262829H1113151718H217H3(H3844)(H3945)(H4046)t262829m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3methyl1((124)triazolo(43a)pyridin3yl)butyl)Lmethioninamide
ZINC000604403861
ZINC604403861

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Available files

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