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

Catalog ID
STL548563
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)c1ccccc1OC)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 C38H48N4O7 MW 672.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O7/c1-8-23(2)35(38(45)42-19-17-41(18-20-42)30-11-9-10-12-32(30)46-4)40-29-16-14-26-27(22-31(29)44)28(39-24(3)43)15-13-25-21-33(47-5)36(48-6)37(49-7)34(25)26/h9-12,14,16,21-23,28,35H,8,13,15,17-20H2,1-7H3,(H,39,43)(H,40,44)/t23-,28+,35+/m1
InChIKey
VRGHBRXUDPXZMG-OGKKQKRFSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))1(4(2methoxyphenyl)piperazin1yl)3methyl1oxopentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110207318
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)c1ccccc1OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H48N4O7c1823(2)35(38(45)42191741(182042)30119101232(30)464)402916142627(2231(29)44)28(3924(3)43)1513252133(475)36(486)37(497)34(25)26h912141621232835H813151720H217H3(H3943)(H4044)t2328+35+m1s1
N((7S)123trimethoxy10(((2S)1(4(2methoxyphenyl)piperazin1yl)3methyl1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((2S3R)1(4(2methoxyphenyl)piperazin1yl)3methyl1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253413790
ZINC253413790

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Available files

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