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N-[(7S)-10-({(2S)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-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
STL546287
SMILES CC[C@H]([C@@H](C(=O)N1CCCC1c1nc2c(s1)cccc2)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 C38H44N4O6S MW 684.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O6S/c1-7-21(2)34(38(45)42-18-10-12-29(42)37-41-28-11-8-9-13-32(28)49-37)40-27-17-15-24-25(20-30(27)44)26(39-22(3)43)16-14-23-19-31(46-4)35(47-5)36(48-6)33(23)24/h8-9,11,13,15,17,19-21,26,29,34H,7,10,12,14,16,18H2,1-6H3,(H,39,43)(H,40,44)/
InChIKey
BSDSIALUJLAMPH-CMSHMGEFSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(2(13benzothiazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541386
CC(C@H)((C@@H)(C(=O)N1CCCC1c1nc2c(s1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H44N4O6Sc1721(2)34(38(45)4218101229(42)37412811891332(28)4937)402717152425(2030(27)44)26(3922(3)43)1614231931(464)35(475)36(486)33(23)24h89111315171921262934H71012141618H216H3(H3943)(H4044)t2126+29?34+m1s1
N((7S)10(((2S)1(2(13benzothiazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S3R)1(2(benzo(d)thiazol2yl)pyrrolidin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263584870
ZINC000263584871

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Available files

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