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-propan-2-yl-L-methioninamide

Catalog ID
STL542044
SMILES CSCC[C@@H](C(=O)NC(C)C)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 C29H39N3O6S MW 557.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O6S/c1-16(2)30-29(35)23(12-13-39-7)32-22-11-9-19-20(15-24(22)34)21(31-17(3)33)10-8-18-14-25(36-4)27(37-5)28(38-6)26(18)19/h9,11,14-16,21,23H,8,10,12-13H2,1-7H3,(H,30,35)(H,31,33)(H,32,34)/t21-,23-/m0/s1
InChIKey
FMUJDQBVAXXOSZ-GMAHTHKFSA-N
Synonyms
1574397-52-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)propan2ylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nisopropyl4(methylthio)butanamide
1574397526
75492479
CSCC(C@@H)(C(=O)NC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H39N3O6Sc116(2)3029(35)23(1213397)32221191920(1524(22)34)21(3117(3)33)108181425(364)27(375)28(386)26(18)19h91114162123H8101213H217H3(H3035)(H3133)(H3234)t2123m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Npropan2ylLmethioninamide
ZINC000108451295
ZINC108451295

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Available files

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