Vitas-M small molecule compound
2-chloro-5-(5-{(1E)-2-cyano-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK506390
SMILES COCCCNC(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/C#N
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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 C19H17ClN2O5 MW 388.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O5/c1-26-8-2-7-22-18(23)13(11-21)9-14-4-6-17(27-14)12-3-5-16(20)15(10-12)19(24)25/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)(H,24,25)/b13-9+InChIKey
NZNVKRVGMZEHPX-UKTHLTGXSA-NSynonyms
2chloro5(5((1E)2cyano3((3methoxypropyl)amino)3oxoprop1en1yl)furan2yl)benzoicacid
2CHLORO5(5((E)2CYANO3(3METHOXYPROPYLAMINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
2CHLORO5(5(2CYANO2(3METHOXYPROPYLCARBAMOYL)VINYL)FURAN2YL)BENZOIC
COCCCNC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C#N
COCCCNC(=O)C(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)C#N
InChI=1SC19H17ClN2O5c1268272218(23)13(1121)9144617(2714)123516(20)15(1012)19(24)25h36910H278H21H3(H2223)(H2425)b139+
MFCD02230946
ZINC000005006538
ZINC5006538
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