Vitas-M small molecule compound
(2-{(Z)-[4-(ethoxycarbonyl)-3-oxo-5-(phenylamino)thiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL371645
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2OCC(=O)O)/C1=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 C22H19NO6S MW 425.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO6S/c1-2-28-22(27)19-20(26)17(30-21(19)23-15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)29-13-18(24)25/h3-12,23H,2,13H2,1H3,(H,24,25)/b17-12-InChIKey
XFYZTRDOWDVLLJ-ATVHPVEESA-NSynonyms
(2((Z)(4(ethoxycarbonyl)3oxo5(phenylamino)thiophen2(3H)ylidene)methyl)phenoxy)aceticacid
2(2((Z)(5ANILINO4ETHOXYCARBONYL3OXOTHIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2OCC(=O)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OCC(=O)O)C1=O)NC3=CC=CC=C3
InChI=1SC22H19NO6Sc122822(27)1920(26)17(3021(19)231594351015)12148671116(14)291318(24)25h31223H213H21H3(H2425)b1712
MFCD03712463
ZINC000006173537
ZINC6173537
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