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

Catalog ID
STL548516
SMILES CC[C@H]([C@@H](C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)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 C37H53N5O8S MW 727.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H53N5O8S/c1-7-24(2)34(37(45)40-16-11-19-42(21-20-40)51(46,47)41-17-9-8-10-18-41)39-30-15-13-27-28(23-31(30)44)29(38-25(3)43)14-12-26-22-32(48-4)35(49-5)36(50-6)33(26)27/h13,15,22-24,29,34H,7-12,14,16-21H2,1-6H3,(H,38,43)(H,39,44)/t24-,29+,34+/
InChIKey
HVBQZDZDLDUIAR-XXOLEGEISA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4piperidin1ylsulfonyl14diazepan1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542154
CC(C@H)((C@@H)(C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H53N5O8Sc1724(2)34(37(45)4016111942(212040)51(4647)411798101841)393015132728(2331(30)44)29(3825(3)43)1412262232(484)35(495)36(506)33(26)27h131522242934H712141621H216H3(H3843)(H3944)t2429+34+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(piperidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((2S3R)3methyl1oxo1(4(piperidin1ylsulfonyl)14diazepan1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585363
ZINC263585363

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Available files

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