Vitas-M small molecule compound
2-({(2E)-3-[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoic acid
Catalog ID
STK071951
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)OC)OC(C)C)/C(=O)Nc1ccccc1C(=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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-12(2)29-19-16(22)9-13(10-18(19)28-3)8-14(11-23)20(25)24-17-7-5-4-6-15(17)21(26)27/h4-10,12H,1-3H3,(H,24,25)(H,26,27)/b14-8+InChIKey
HHINIZNHSUHFFD-RIYZIHGNSA-NSynonyms
2(((2E)3(3CHLORO5METHOXY4(PROPAN2YLOXY)PHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
2(((E)3(3CHLORO5METHOXY4PROPAN2YLOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOICACID
CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC
InChI=1SC21H19ClN2O5c112(2)291916(22)913(1018(19)283)814(1123)20(25)2417754615(17)21(26)27h41012H13H3(H2425)(H2627)b148+
MFCD02891516
N#CC(=Cc1cc(Cl)c(c(c1)OC)OC(C)C)C(=O)Nc1ccccc1C(=O)O
STK071951
ZINC000004599720
ZINC4599720
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