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-(tetrahydrofuran-2-ylmethyl)-L-methioninamide
Catalog ID
STL549969
SMILES CSCC[C@@H](C(=O)NCC1CCCO1)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 C31H41N3O7S MW 599.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O7S/c1-18(35)33-23-10-8-19-15-27(38-2)29(39-3)30(40-4)28(19)21-9-11-24(26(36)16-22(21)23)34-25(12-14-42-5)31(37)32-17-20-7-6-13-41-20/h9,11,15-16,20,23,25H,6-8,10,12-14,17H2,1-5H3,(H,32,37)(H,33,35)(H,34,36)/t20?,23-,25-/m0/s1InChIKey
QKGMURIJYRKTEM-WAXYSGSMSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(oxolan2ylmethyl)butanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N((tetrahydrofuran2yl)methyl)butanamide
129895920
InChI=1SC31H41N3O7Sc118(35)3323108191527(382)29(393)30(404)28(19)2191124(26(36)1622(21)23)3425(1214425)31(37)32172076134120h9111516202325H6810121417H215H3(H3237)(H3335)(H3436)t20?2325m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(tetrahydrofuran2ylmethyl)Lmethioninamide
ZINC000524731955
ZINC000524731956
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