Vitas-M small molecule compound
3-({trans-4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]cyclohexyl}methyl)quinazolin-4(3H)-one
Catalog ID
STL520301
SMILES COc1cc2CN(CCc2cc1OC)C(=O)[C@@H]1CC[C@H](CC1)Cn1cnc2c(c1=O)cccc2
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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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-33-24-13-20-11-12-29(16-21(20)14-25(24)34-2)26(31)19-9-7-18(8-10-19)15-30-17-28-23-6-4-3-5-22(23)27(30)32/h3-6,13-14,17-19H,7-12,15-16H2,1-2H3/t18-,19-InChIKey
IKCKDSCDPDJOMD-WGSAOQKQSA-NSynonyms
3(((1r4r)4(67dimethoxy1234tetrahydroisoquinoline2carbonyl)cyclohexyl)methyl)quinazolin4(3H)one
3((trans4((67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)cyclohexyl)methyl)quinazolin4(3H)one
COc1cc2CN(CCc2cc1OC)C(=O)(C@@H)1CC(C@H)(CC1)Cn1cnc2c(c1=O)cccc2
InChI=1SC27H31N3O4c133241320111229(1621(20)1425(24)342)26(31)199718(81019)1530172823643522(23)27(30)32h3613141719H7121516H212H3t1819
ZINC000252460817
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