Vitas-M small molecule compound

propan-2-yl {[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK580397
SMILES COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)OC(C)C

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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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-13(2)27-18(25)12-28-20-23-22-19(14-5-4-6-17(11-14)26-3)24(20)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3
InChIKey
WUSMUCNJMQEYMK-UHFFFAOYSA-N
Synonyms
849827-00-5
849827005
CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)OC
InChI=1SC20H20ClN3O3Sc113(2)2718(25)122820232219(1454617(1114)263)24(20)169715(21)81016h41113H12H213H3
isopropyl2((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)thio)acetate
METHYLETHYL2(4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD05688214
propan2yl((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
PROPAN2YL2((4(4CHLOROPHENYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000004541681
ZINC04541681
ZINC4541681

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.