Vitas-M small molecule compound
4-{(E)-2-[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]-1-cyanoethenyl}benzoic acid
Catalog ID
STK216436
SMILES N#C/C(=C/c1cc(Cl)c(c(c1)OC)OC(C)C)/c1ccc(cc1)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 C20H18ClNO4 MW 371.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO4/c1-12(2)26-19-17(21)9-13(10-18(19)25-3)8-16(11-22)14-4-6-15(7-5-14)20(23)24/h4-10,12H,1-3H3,(H,23,24)/b16-8-InChIKey
ZTYUCAITJIFZOH-PXNMLYILSA-NSynonyms
4((E)2(3chloro5methoxy4(propan2yloxy)phenyl)1cyanoethenyl)benzoicacid
4((E)2(3CHLORO5METHOXY4PROPAN2YLOXYPHENYL)1CYANOETHENYL)BENZOICACID
CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC
InChI=1SC20H18ClNO4c112(2)261917(21)913(1018(19)253)816(1122)144615(7514)20(23)24h41012H13H3(H2324)b168
MFCD08676850
N#CC(=Cc1cc(Cl)c(c(c1)OC)OC(C)C)c1ccc(cc1)C(=O)O
ZINC000004813709
ZINC4813709
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