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-cyclopropyl-L-valinamide
Catalog ID
STL541374
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NC1CC1)C(C)C)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 C29H37N3O6 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O6/c1-15(2)26(29(35)31-18-8-9-18)32-22-12-10-19-20(14-23(22)34)21(30-16(3)33)11-7-17-13-24(36-4)27(37-5)28(38-6)25(17)19/h10,12-15,18,21,26H,7-9,11H2,1-6H3,(H,30,33)(H,31,35)(H,32,34)/t21-,26-/m0/s1InChIKey
KKNKVJYOHLLBGB-LVXARBLLSA-NSynonyms
1574354-68-9(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclopropyl3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclopropyl3methylbutanamide
1574354689
75492057
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NC1CC1)C(C)C)NC(=O)C
InChI=1SC29H37N3O6c115(2)26(29(35)31188918)322212101920(1423(22)34)21(3016(3)33)117171324(364)27(375)28(386)25(17)19h101215182126H7911H216H3(H3033)(H3135)(H3234)t2126m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcyclopropylLvalinamide
ZINC000096222205
ZINC96222205
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