Vitas-M small molecule compound
methyl 4-({(E)-2-[4-(6-chloro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Catalog ID
STK878476
SMILES N#C/C(=C\Nc1ccc(cc1)C(=O)OC)/c1scc(n1)c1cc2cc(Cl)ccc2oc1=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 C23H14ClN3O4S MW 463.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14ClN3O4S/c1-30-22(28)13-2-5-17(6-3-13)26-11-15(10-25)21-27-19(12-32-21)18-9-14-8-16(24)4-7-20(14)31-23(18)29/h2-9,11-12,26H,1H3/b15-11+InChIKey
BLXWZAUACGWXPQ-RVDMUPIBSA-NSynonyms
1021263-27-31021263273
COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Cl)OC3=O
InChI=1SC23H14ClN3O4Sc13022(28)132517(6313)261115(1025)212719(123221)18914816(24)4720(14)3123(18)29h29111226H1H3b1511+
methyl4(((E)2(4(6chloro2oxo2Hchromen3yl)13thiazol2yl)2cyanoethenyl)amino)benzoate
methyl4(((E)2(4(6chloro2oxochromen3yl)13thiazol2yl)2cyanoethenyl)amino)benzoate
MFCD11992859
N#CC(=CNc1ccc(cc1)C(=O)OC)c1scc(n1)c1cc2cc(Cl)ccc2oc1=O
ZINC000016917393
ZINC16917393
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