Vitas-M small molecule compound
(2Z)-3-{5-chloro-2-[(4-cyanobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505137
SMILES N#Cc1ccc(cc1)COc1ccc(cc1/C=C(/C(=O)O)\Sc1nnc([nH]1)C)Cl
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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 C20H15ClN4O3S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O3S/c1-12-23-20(25-24-12)29-18(19(26)27)9-15-8-16(21)6-7-17(15)28-11-14-4-2-13(10-22)3-5-14/h2-9H,11H2,1H3,(H,26,27)(H,23,24,25)/b18-9-InChIKey
PPIIMQCZWBYFAE-NVMNQCDNSA-NSynonyms
840483-92-3(~(Z))3(5chloro2((4cyanophenyl)methoxy)phenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(5chloro2((4cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(5chloro2((4cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
(Z)3(5CHLORO2((4CYANOPHENYL)METHOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
1617105
840483923
InChI=1SC20H15ClN4O3Sc1122320(252412)2918(19(26)27)915816(21)6717(15)2811144213(1022)3514h29H11H21H3(H2627)(H232425)b189
MFCD04007325
N#Cc1ccc(cc1)COc1ccc(cc1C=C(C(=O)O)Sc1nnc((nH)1)C)Cl
ZINC000013751544
ZINC13751544
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