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

Catalog ID
STL544322
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCCc2nnc3n2cccc3)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 C34H40N6O6 MW 628.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N6O6/c1-21(41)37-25-14-12-22-19-28(44-2)33(45-3)34(46-4)32(22)23-13-15-26(27(42)20-24(23)25)35-16-8-11-31(43)36-17-7-10-30-39-38-29-9-5-6-18-40(29)30/h5-6,9,13,15,18-20,25H,7-8,10-12,14,16-17H2,1-4H3,(H,35,42)(H,36,43)(H,37,41)/t25-/m0/s1
InChIKey
FLNBKMHGUAZSPH-VWLOTQADSA-N
Synonyms
1574380-67-8
(S)N(3((124)triazolo(43a)pyridin3yl)propyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574380678
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3((124)triazolo(43a)pyridin3yl)propyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3((124)triazolo(43a)pyridin3yl)propyl)butanamide
75492021
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCCCc2nnc3n2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC34H40N6O6c121(41)37251412221928(442)33(453)34(464)32(22)23131526(27(42)2024(23)25)351681131(43)3617710303938299561840(29)30h5691315182025H781012141617H214H3(H3542)(H3643)(H3741)t25m0s1
ZINC000108450122
ZINC108450122

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Available files

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