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

Catalog ID
STL546266
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCCC1)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)40-18-20-42(21-19-40)51(46,47)41-16-10-8-9-11-17-41)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
UXXYIVHHJPQTHR-XXOLEGEISA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(4(azepan1ylsulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541408
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H53N5O8Sc1724(2)34(37(45)40182042(211940)51(4647)41161089111741)393015132728(2331(30)44)29(3825(3)43)1412262232(484)35(495)36(506)33(26)27h131522242934H712141621H216H3(H3843)(H3944)t2429+34+m1s1
N((7S)10(((2S)1(4(azepan1ylsulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4(azepan1ylsulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586487
ZINC263586487

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Available files

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