Vitas-M small molecule compound
(2S)-{[3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}(phenyl)ethanoic acid
Catalog ID
STL464362
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
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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 C24H21NO6 MW 419.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO6/c1-13-12-30-19-11-20-18(10-17(13)19)14(2)16(24(29)31-20)8-9-21(26)25-22(23(27)28)15-6-4-3-5-7-15/h3-7,10-12,22H,8-9H2,1-2H3,(H,25,26)(H,27,28)/t22-/m0/s1InChIKey
LTRQEJSASBIXOF-QFIPXVFZSA-NSynonyms
(2S)((3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(3(35DIMETHYL7OXOFURO(32G)CHROMEN6YL)PROPANOYLAMINO)2PHENYLACETICACID
2(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)2phenylaceticacid
CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(C4=CC=CC=C4)C(=O)O)C
InChI=1SC24H21NO6c113123019112018(1017(13)19)14(2)16(24(29)3120)8921(26)2522(23(27)28)156435715h37101222H89H212H3(H2526)(H2728)t22m0s1
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
O=C(NC(c1ccccc1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
ZINC000002157249
ZINC2157249
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