Vitas-M small molecule compound
(3S)-3-(4-chlorophenyl)-4-{[(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}butanoic acid
Catalog ID
STL533950
SMILES OC(=O)CC(c1ccc(cc1)Cl)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)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 C22H20ClNO6 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO6/c1-12-17-7-6-16(25)9-19(17)30-22(29)18(12)10-20(26)24-11-14(8-21(27)28)13-2-4-15(23)5-3-13/h2-7,9,14,25H,8,10-11H2,1H3,(H,24,26)(H,27,28)/t14-/m1/s1InChIKey
ROHIAECYYHOSKJ-CQSZACIVSA-NSynonyms
957009-72-2(3~(S))3(4chlorophenyl)4((2(7hydroxy4methyl2oxochromen3yl)acetyl)amino)butanoicacid
(3S)3(4chlorophenyl)4(((7hydroxy4methyl2oxo2Hchromen3yl)acetyl)amino)butanoicacid
16407465
3(4chlorophenyl)4(2(7hydroxy4methyl2oxo2Hchromen3yl)acetamido)butanoicacid
957009722
InChI=1SC22H20ClNO6c112177616(25)919(17)3022(29)18(12)1020(26)241114(821(27)28)132415(23)5313h2791425H81011H21H3(H2426)(H2728)t14m1s1
OC(=O)C(C@H)(c1ccc(cc1)Cl)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)O
ZINC000008878945
ZINC8878945
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