Vitas-M small molecule compound
N-[(7S)-10-{[(2S)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL543485
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCC3(C(C2)CCCC3)O)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C35H47N3O7 MW 621.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H47N3O7/c1-20(2)31(34(41)38-16-15-35(42)14-8-7-9-23(35)19-38)37-27-13-11-24-25(18-28(27)40)26(36-21(3)39)12-10-22-17-29(43-4)32(44-5)33(45-6)30(22)24/h11,13,17-18,20,23,26,31,42H,7-10,12,14-16,19H2,1-6H3,(H,36,39)(H,37,40)/t23?,26-,31-,35?/m0/InChIKey
HWXRIIQRHMCELS-YKJZNUQBSA-NSynonyms
~(N)((7~(S))10(((2~(S))1(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110205933
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCC3(C(C2)CCCC3)O)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H47N3O7c120(2)31(34(41)38161535(42)1487923(35)1938)372713112425(1828(27)40)26(3621(3)39)1210221729(434)32(445)33(456)30(22)24h111317182023263142H71012141619H216H3(H3639)(H3740)t23?263135?m0s1
N((7S)10(((2S)1(4ahydroxyoctahydroisoquinolin2(1H)yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253404567
ZINC000253404583
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.