Vitas-M small molecule compound

methyl 4,5-dimethoxy-2-[({[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK869024
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nnnn1c1ccccc1OC)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 C20H21N5O6S MW 459.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O6S/c1-28-15-8-6-5-7-14(15)25-20(22-23-24-25)32-11-18(26)21-13-10-17(30-3)16(29-2)9-12(13)19(27)31-4/h5-10H,11H2,1-4H3,(H,21,26)
InChIKey
XAXLVDNRBJYRDH-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC
InChI=1SC20H21N5O6Sc12815865714(15)2520(22232425)321118(26)21131017(303)16(292)912(13)19(27)314h510H11H214H3(H2126)
methyl45dimethoxy2((((1(2methoxyphenyl)1Htetrazol5yl)sulfanyl)acetyl)amino)benzoate
METHYL45DIMETHOXY2((2(1(2METHOXYPHENYL)TETRAZOL5YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD05993123
ZINC000002861360
ZINC02861360
ZINC2861360

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Available files

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