Vitas-M small molecule compound

(2E)-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Catalog ID
STK027093
SMILES COc1cc(/C=C/C(=O)Nc2nnc(s2)Cc2ccc(cc2)Cl)cc(c1OC)OC

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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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-27-16-10-14(11-17(28-2)20(16)29-3)6-9-18(26)23-21-25-24-19(30-21)12-13-4-7-15(22)8-5-13/h4-11H,12H2,1-3H3,(H,23,25,26)/b9-6+
InChIKey
GSMXGVNEOXGCNY-RMKNXTFCSA-N
Synonyms
468766-62-3
(2E)N(5((4CHLOROPHENYL)METHYL)(134THIADIAZOL2YL))3(345TRIMETHOXYPHENYL)PROP2ENAMIDE
(2E)N(5(4CHLOROBENZYL)134THIADIAZOL2YL)3(345TRIMETHOXYPHENYL)PROP2ENAMIDE
(E)N(5((4CHLOROPHENYL)METHYL)134THIADIAZOL2YL)3(345TRIMETHOXYPHENYL)PROP2ENAMIDE
468766623
COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl
COc1cc(C=CC(=O)Nc2nnc(s2)Cc2ccc(cc2)Cl)cc(c1OC)OC
InChI=1SC21H20ClN3O4Sc127161014(1117(282)20(16)293)6918(26)2321252419(3021)12134715(22)8513h411H12H213H3(H232526)b96+
MFCD02979007
STK027093
ZINC000001150099
ZINC01150099
ZINC1150099

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Available files

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