Vitas-M small molecule compound

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

Catalog ID
STL042324
SMILES COc1ccc(cc1)c1nnc(n1C)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 C15H19N3O3S MW 321.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O3S/c1-10(2)21-13(19)9-22-15-17-16-14(18(15)3)11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey
LRFUHYLRMLTVIK-UHFFFAOYSA-N
Synonyms
4790-65-2
4790652
CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)OC
InChI=1SC15H19N3O3Sc110(2)2113(19)92215171614(18(15)3)115712(204)8611h5810H9H214H3
isopropyl2((5(4methoxyphenyl)4methyl4H124triazol3yl)thio)acetate
MFCD05687714
propan2yl((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000002449594
ZINC02449594
ZINC2449594

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Available files

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