Vitas-M small molecule compound

(2S)-({[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}amino)(phenyl)ethanoic acid

Catalog ID
STL531063
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)Cl)N[C@@H](c1ccccc1)C(=O)O

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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 C29H22ClNO6 MW 515.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClNO6/c1-15-20-12-22-23(17-8-10-19(30)11-9-17)14-36-26(22)16(2)27(20)37-29(35)21(15)13-24(32)31-25(28(33)34)18-6-4-3-5-7-18/h3-12,14,25H,13H2,1-2H3,(H,31,32)(H,33,34)/t25-/m0/s1
InChIKey
JNLBYUNHBLDKLE-VWLOTQADSA-N
Synonyms
956705-56-9
(2~(S))2((2(3(4chlorophenyl)59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)2phenylaceticacid
(2S)(((3(4chlorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)amino)(phenyl)ethanoicacid
(2S)2((2(3(4CHLOROPHENYL)59DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)AMINO)2PHENYLACETICACID
(S)2(2(3(4chlorophenyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)2phenylaceticacid
1769241
956705569
InChI=1SC29H22ClNO6c11520122223(1781019(30)11917)143626(22)16(2)27(20)3729(35)21(15)1324(32)3125(28(33)34)186435718h3121425H13H212H3(H3132)(H3334)t25m0s1
MFCD05673256
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)Cl)N(C@@H)(c1ccccc1)C(=O)O
ZINC000002114534
ZINC2114534

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Available files

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