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N-[(7S)-10-{[(2S)-1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]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
STL550049
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)CCn1c(C)ccc1C)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 C39H53N5O6 MW 687.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H53N5O6/c1-9-24(2)36(39(47)43-19-16-42(17-20-43)18-21-44-25(3)10-11-26(44)4)41-32-15-13-29-30(23-33(32)46)31(40-27(5)45)14-12-28-22-34(48-6)37(49-7)38(50-8)35(28)29/h10-11,13,15,22-24,31,36H,9,12,14,16-21H2,1-8H3,(H,40,45)(H,41,46)/t24-,31+,36
InChIKey
SLLJRJTUYIIPAY-AVFXGLFGSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(4(2(25dimethylpyrrol1yl)ethyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253456
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)CCn1c(C)ccc1C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H53N5O6c1924(2)36(39(47)43191642(172043)18214425(3)101126(44)4)413215132930(2333(32)46)31(4027(5)45)1412282234(486)37(497)38(508)35(28)29h1011131522243136H912141621H218H3(H4045)(H4146)t2431+36+m1s1
N((7S)10(((2S)1(4(2(25dimethyl1Hpyrrol1yl)ethyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4(2(25dimethyl1Hpyrrol1yl)ethyl)piperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604405860
ZINC604405860

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Available files

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