Vitas-M small molecule compound
6,7-dimethoxy-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL010269
SMILES CSCC[C@@H](C(=O)NC1CCCc2c1cccc2)NC(=O)N1CCc2c(C1)cc(c(c2)OC)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 C27H35N3O4S MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O4S/c1-33-24-15-19-11-13-30(17-20(19)16-25(24)34-2)27(32)29-23(12-14-35-3)26(31)28-22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,15-16,22-23H,6,8,10-14,17H2,1-3H3,(H,28,31)(H,29,32)/t22?,23-/m0/s1InChIKey
PKIKNWRPYIGDSH-WCSIJFPASA-NSynonyms
67dimethoxyN((2S)4(methylsulfanyl)1oxo1(1234tetrahydronaphthalen1ylamino)butan2yl)34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((2S)4(methylthio)1oxo1((1234tetrahydronaphthalen1yl)amino)butan2yl)34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((2S)4methylsulfanyl1oxo1(1234tetrahydronaphthalen1ylamino)butan2yl)34dihydro1Hisoquinoline2carboxamide
COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3CCCC4=CC=CC=C34)OC
CSCC(C@@H)(C(=O)NC1CCCc2c1cccc2)NC(=O)N1CCc2c(C1)cc(c(c2)OC)OC
InChI=1SC27H35N3O4Sc133241519111330(1720(19)1625(24)342)27(32)2923(1214353)26(31)2822106818745921(18)22h457915162223H68101417H213H3(H2831)(H2932)t22?23m0s1
MFCD10488818
ZINC000013629850
ZINC000013629852
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