Vitas-M small molecule compound
(2S)-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)(phenyl)ethanoic acid
Catalog ID
STL460752
SMILES O=C(C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C)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 C22H21NO6 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6/c1-12-13(2)22(27)29-18-11-16(9-10-17(12)18)28-14(3)20(24)23-19(21(25)26)15-7-5-4-6-8-15/h4-11,14,19H,1-3H3,(H,23,24)(H,25,26)/t14?,19-/m0/s1InChIKey
YMWHXDPWLXIIJF-PKDNWHCCSA-NSynonyms
956928-00-0((2((34DIMETHYL2OXO2HCHROMEN7YL)OXY)PROPANOYL)AMINO)(PHENYL)ACETICACID
(2S)((2((34dimethyl2oxo2Hchromen7yl)oxy)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(2((34dimethyl2oxo2Hchromen7yl)oxy)propanamido)2phenylaceticacid
(2S)2(2(34dimethyl2oxochromen7yl)oxypropanoylamino)2phenylaceticacid
956928000
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O)C
InChI=1SC22H21NO6c11213(2)22(27)29181116(91017(12)18)2814(3)20(24)2319(21(25)26)157546815h4111419H13H3(H2324)(H2526)t14?19m0s1
MFCD06764182
O=C(C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C)N(C@@H)(c1ccccc1)C(=O)O
ZINC000002094337
ZINC000002094338
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