Vitas-M small molecule compound
(2S)-{[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}(phenyl)ethanoic acid
Catalog ID
STL463570
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-15-18(11-12-22(30)29-23(26(31)32)17-9-7-6-8-10-17)27(33)35-25-16(2)24-20(13-19(15)25)21(14-34-24)28(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,29,30)(H,31,32)/t23-/m0/s1InChIKey
PLCQFHMTOTVIMM-QHCPKHFHSA-NSynonyms
(2S)((3(3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(3(3TERTBUTYL59DIMETHYL7OXOFURO(32G)CHROMEN6YL)PROPANOYLAMINO)2PHENYLACETICACID
2(3(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)2phenylaceticacid
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CCC(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC28H29NO6c11518(111222(30)2923(26(31)32)1797681017)27(33)352516(2)2420(1319(15)25)21(143424)28(34)5h610131423H1112H215H3(H2930)(H3132)t23m0s1
MFCD10041519
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
O=C(NC(c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
ZINC000002123897
ZINC2123897
Check stock
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Check stock on Vitas-MAvailable files
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