Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STK673250
SMILES N#Cc1c(/N=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)sc2c1CCCC2
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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 C21H15ClN2O3S MW 410.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O3S/c22-17-7-5-12(9-15(17)21(25)26)18-8-6-13(27-18)11-24-20-16(10-23)14-3-1-2-4-19(14)28-20/h5-9,11H,1-4H2,(H,25,26)/b24-11+InChIKey
AUGQFXUYWRUOEB-BHGWPJFGSA-NSynonyms
2chloro5(5((E)((3cyano4567tetrahydro1benzothiophen2yl)imino)methyl)furan2yl)benzoicacid
2chloro5(5((E)(3cyano4567tetrahydro1benzothiophen2yl)iminomethyl)furan2yl)benzoicacid
C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C#N
InChI=1SC21H15ClN2O3Sc22177512(915(17)21(25)26)188613(2718)11242016(1023)14312419(14)2820h5911H14H2(H2526)b2411+
MFCD00738858
N#Cc1c(N=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)sc2c1CCCC2
ZINC000003084903
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