Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK614736
SMILES OCC(NC(=O)[C@H](C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)Cc1ccccc1
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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 C27H31N3O6 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O6/c1-4-30-13-20(25(32)19-11-22-23(12-21(19)30)36-15-35-22)26(33)29-24(16(2)3)27(34)28-18(14-31)10-17-8-6-5-7-9-17/h5-9,11-13,16,18,24,31H,4,10,14-15H2,1-3H3,(H,28,34)(H,29,33)/t18?,24-/m0/s1InChIKey
SWIVEQOJFPZZLG-LUTIACGYSA-NSynonyms
5ethylN((2S)1((1hydroxy3phenylpropan2yl)amino)3methyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((1hydroxy3phenylpropan2yl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)NC(CC4=CC=CC=C4)CO
InChI=1SC27H31N3O6c14301320(25(32)19112223(1221(19)30)36153522)26(33)2924(16(2)3)27(34)2818(1431)10178657917h59111316182431H4101415H213H3(H2834)(H2933)t18?24m0s1
MFCD08292945
OCC(NC(=O)(C@H)(C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)Cc1ccccc1
ZINC000013610016
ZINC000013610019
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