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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-L-methioninamide

Catalog ID
STL547423
SMILES CSCC[C@@H](C(=O)NCC1CCCN1CC)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 C33H46N4O6S MW 626.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46N4O6S/c1-7-37-15-8-9-22(37)19-34-33(40)27(14-16-44-6)36-26-13-11-23-24(18-28(26)39)25(35-20(2)38)12-10-21-17-29(41-3)31(42-4)32(43-5)30(21)23/h11,13,17-18,22,25,27H,7-10,12,14-16,19H2,1-6H3,(H,34,40)(H,35,38)(H,36,39)/t22?,25-,27-/m0/s1
InChIKey
YVENAQWGBZZIQM-FAHYYQORSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1ethylpyrrolidin2yl)methyl)4methylsulfanylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1ethylpyrrolidin2yl)methyl)4(methylthio)butanamide
110207367
CSCC(C@@H)(C(=O)NCC1CCCN1CC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H46N4O6Sc1737158922(37)193433(40)27(1416446)362613112324(1828(26)39)25(3520(2)38)1210211729(413)31(424)32(435)30(21)23h11131718222527H71012141619H216H3(H3440)(H3538)(H3639)t22?2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1ethylpyrrolidin2yl)methyl)Lmethioninamide
ZINC000253414860
ZINC000253414861

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Available files

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