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

Catalog ID
STL540812
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)c1ccccc1)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 C37H46N4O6 MW 642.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O6/c1-7-23(2)34(37(44)41-19-17-40(18-20-41)26-11-9-8-10-12-26)39-30-16-14-27-28(22-31(30)43)29(38-24(3)42)15-13-25-21-32(45-4)35(46-5)36(47-6)33(25)27/h8-12,14,16,21-23,29,34H,7,13,15,17-20H2,1-6H3,(H,38,42)(H,39,43)/t23-,29+,34+/m1/s1
InChIKey
LYOKJHOCJUFWQC-GOJUJFHUSA-N
Synonyms
1574392-89-4
~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4phenylpiperazin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574392894
75491560
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)c1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H46N4O6c1723(2)34(37(44)41191740(182041)261198101226)393016142728(2231(30)43)29(3824(3)42)1513252132(454)35(465)36(476)33(25)27h812141621232934H713151720H216H3(H3842)(H3943)t2329+34+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4phenylpiperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((2S3R)3methyl1oxo1(4phenylpiperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108448939
ZINC108448939

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Available files

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