Vitas-M small molecule compound
6,7-dimethoxy-N-{(2S)-1-oxo-1-[(4-phenoxyphenyl)amino]propan-2-yl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL237340
SMILES COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccc(cc1)Oc1ccccc1)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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-18(26(31)29-21-9-11-23(12-10-21)35-22-7-5-4-6-8-22)28-27(32)30-14-13-19-15-24(33-2)25(34-3)16-20(19)17-30/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,28,32)(H,29,31)/t18-/m0/s1InChIKey
QKDWNJHGRQJYRW-SFHVURJKSA-NSynonyms
1014065-20-3(S)67dimethoxyN(1oxo1((4phenoxyphenyl)amino)propan2yl)34dihydroisoquinoline2(1H)carboxamide
1014065203
67dimethoxyN((2S)1oxo1((4phenoxyphenyl)amino)propan2yl)34dihydroisoquinoline2(1H)carboxamide
67dimethoxyN((2S)1oxo1(4phenoxyanilino)propan2yl)34dihydro1Hisoquinoline2carboxamide
CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC
COc1cc2CN(CCc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)Oc1ccccc1)C
InChI=1SC27H29N3O5c118(26(31)292191123(121021)35227546822)2827(32)301413191524(332)25(343)1620(19)1730h412151618H131417H213H3(H2832)(H2931)t18m0s1
MFCD08747584
ZINC000009306321
ZINC09306321
ZINC9306321
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