Vitas-M small molecule compound

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide

Catalog ID
STK115878
SMILES COc1cc(CCNC(=O)CSc2nnnn2c2c(C)cccc2C)ccc1OC

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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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-14-6-5-7-15(2)20(14)26-21(23-24-25-26)30-13-19(27)22-11-10-16-8-9-17(28-3)18(12-16)29-4/h5-9,12H,10-11,13H2,1-4H3,(H,22,27)
InChIKey
SHQKCQUQXXIKBE-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC
InChI=1SC21H25N5O3Sc11465715(2)20(14)2621(23242526)301319(27)221110168917(283)18(1216)294h5912H101113H214H3(H2227)
MFCD04209817
N(2(34DIMETHOXYPHENYL)ETHYL)2((1(26DIMETHYLPHENYL)1HTETRAZOL5YL)SULFANYL)ACETAMIDE
N(2(34DIMETHOXYPHENYL)ETHYL)2(1(26DIMETHYLPHENYL)TETRAZOL5YL)SULFANYLACETAMIDE
ZINC000002837065
ZINC02837065
ZINC2837065

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Available files

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