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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-methyl-1H-pyrrol-2-yl)methyl]-L-methioninamide

Catalog ID
STL542797
SMILES CSCC[C@@H](C(=O)NCc1cccn1C)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 C32H40N4O6S MW 608.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N4O6S/c1-19(37)34-24-11-9-20-16-28(40-3)30(41-4)31(42-5)29(20)22-10-12-25(27(38)17-23(22)24)35-26(13-15-43-6)32(39)33-18-21-8-7-14-36(21)2/h7-8,10,12,14,16-17,24,26H,9,11,13,15,18H2,1-6H3,(H,33,39)(H,34,37)(H,35,38)/t24-,26-/m0/s1
InChIKey
YAOIVCYWBCDABF-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1methylpyrrol2yl)methyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Hpyrrol2yl)methyl)4(methylthio)butanamide
110207711
CSCC(C@@H)(C(=O)NCc1cccn1C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H40N4O6Sc119(37)3424119201628(403)30(414)31(425)29(20)22101225(27(38)1723(22)24)3526(1315436)32(39)331821871436(21)2h7810121416172426H911131518H216H3(H3339)(H3437)(H3538)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Hpyrrol2yl)methyl)Lmethioninamide
ZINC000253414635
ZINC253414635

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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