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-phenyl-L-methioninamide

Catalog ID
STL540344
SMILES CSCC[C@@H](C(=O)Nc1ccccc1)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 C32H37N3O6S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O6S/c1-19(36)33-24-13-11-20-17-28(39-2)30(40-3)31(41-4)29(20)22-12-14-25(27(37)18-23(22)24)35-26(15-16-42-5)32(38)34-21-9-7-6-8-10-21/h6-10,12,14,17-18,24,26H,11,13,15-16H2,1-5H3,(H,33,36)(H,34,38)(H,35,37)/t24-,26-/m0/s1
InChIKey
WYRXEAFFTMYZSN-AHWVRZQESA-N
Synonyms
1574378-41-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)phenylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)Nphenylbutanamide
1574378418
75491416
CSCC(C@@H)(C(=O)Nc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H37N3O6Sc119(36)33241311201728(392)30(403)31(414)29(20)22121425(27(37)1823(22)24)3526(1516425)32(38)342197681021h610121417182426H11131516H215H3(H3336)(H3438)(H3537)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NphenylLmethioninamide
ZINC000108448605
ZINC108448605

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Available files

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