Vitas-M small molecule compound

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

Catalog ID
STL540076
SMILES CSCC[C@@H](C(=O)NCc1ccccc1)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 C33H39N3O6S MW 605.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O6S/c1-20(37)35-25-13-11-22-17-29(40-2)31(41-3)32(42-4)30(22)23-12-14-26(28(38)18-24(23)25)36-27(15-16-43-5)33(39)34-19-21-9-7-6-8-10-21/h6-10,12,14,17-18,25,27H,11,13,15-16,19H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t25-,27-/m0/s1
InChIKey
AJUGMSGMVKUZSE-BDYUSTAISA-N
Synonyms
1574380-64-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)benzyl4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nbenzyl4(methylthio)butanamide
1574380645
75492014
CSCC(C@@H)(C(=O)NCc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H39N3O6Sc120(37)35251311221729(402)31(413)32(424)30(22)23121426(28(38)1824(23)25)3627(1516435)33(39)34192197681021h610121417182527H1113151619H215H3(H3439)(H3537)(H3638)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NbenzylLmethioninamide
ZINC000108450103
ZINC108450103

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Available files

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