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

Catalog ID
STL542735
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)c1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H44N4O6S MW 660.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O6S/c1-23(41)37-28-13-11-24-21-32(44-2)34(45-3)35(46-4)33(24)26-12-14-29(31(42)22-27(26)28)38-30(15-20-47-5)36(43)40-18-16-39(17-19-40)25-9-7-6-8-10-25/h6-10,12,14,21-22,28,30H,11,13,15-20H2,1-5H3,(H,37,41)(H,38,42)/t28-,30-/m0/s1
InChIKey
SDGKULSVOISKDF-JDXGNMNLSA-N
Synonyms
1574380-24-7
~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574380247
75492111
CSCC(C@@H)(C(=O)N1CCN(CC1)c1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N4O6Sc123(41)37281311242132(442)34(453)35(464)33(24)26121429(31(42)2227(26)28)3830(1520475)36(43)40181639(171940)2597681025h610121421222830H11131520H215H3(H3741)(H3842)t2830m0s1
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)4(methylthio)1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653641
ZINC150653641

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Available files

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