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

Catalog ID
STL547010
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C(C)C)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 C34H48N4O8S MW 672.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H48N4O8S/c1-9-21(4)31(34(41)37-14-16-38(17-15-37)47(42,43)20(2)3)36-27-13-11-24-25(19-28(27)40)26(35-22(5)39)12-10-23-18-29(44-6)32(45-7)33(46-8)30(23)24/h11,13,18-21,26,31H,9-10,12,14-17H2,1-8H3,(H,35,39)(H,36,40)/t21-,26+,31+/m1/s1
InChIKey
FLTQZJGHOXIWDN-OUZRWCOESA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4propan2ylsulfonylpiperazin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541416
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H48N4O8Sc1921(4)31(34(41)37141638(171537)47(4243)20(2)3)362713112425(1928(27)40)26(3522(5)39)1210231829(446)32(457)33(468)30(23)24h111318212631H910121417H218H3(H3539)(H3640)t2126+31+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(propan2ylsulfonyl)piperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4(isopropylsulfonyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585131
ZINC263585131

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Available files

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