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

Catalog ID
STL541083
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)c1cccc(c1)OC)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 C37H46N4O7S MW 690.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O7S/c1-23(42)38-29-12-10-24-20-33(46-3)35(47-4)36(48-5)34(24)27-11-13-30(32(43)22-28(27)29)39-31(14-19-49-6)37(44)41-17-15-40(16-18-41)25-8-7-9-26(21-25)45-2/h7-9,11,13,20-22,29,31H,10,12,14-19H2,1-6H3,(H,38,42)(H,39,43)/t29-,31-/m0/s1
InChIKey
YXMUCHOMJFLSDQ-SMCANUKXSA-N
Synonyms
1574350-85-8
~(N)((7~(S))123trimethoxy10(((2~(S))1(4(3methoxyphenyl)piperazin1yl)4methylsulfanyl1oxobutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574350858
75491030
CSCC(C@@H)(C(=O)N1CCN(CC1)c1cccc(c1)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N4O7Sc123(42)38291210242033(463)35(474)36(485)34(24)27111330(32(43)2228(27)29)3931(1419496)37(44)41171540(161841)2587926(2125)452h79111320222931H10121419H216H3(H3842)(H3943)t2931m0s1
N((7S)123trimethoxy10(((2S)1(4(3methoxyphenyl)piperazin1yl)4(methylsulfanyl)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1(4(3methoxyphenyl)piperazin1yl)4(methylthio)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150652980
ZINC150652980

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Available files

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