Vitas-M small molecule compound

dimethyl 2-[({[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STL025750
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nnnn1c1ccc(cc1)C)C(=O)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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-12-4-7-14(8-5-12)25-20(22-23-24-25)31-11-17(26)21-16-10-13(18(27)29-2)6-9-15(16)19(28)30-3/h4-10H,11H2,1-3H3,(H,21,26)
InChIKey
LWLAOYMWBRPHBV-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC
dimethyl2((((1(4methylphenyl)1Htetrazol5yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
DIMETHYL2((2(1(4METHYLPHENYL)TETRAZOL5YL)SULFANYLACETYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC20H19N5O5Sc1124714(8512)2520(22232425)311117(26)21161013(18(27)292)6915(16)19(28)303h410H11H213H3(H2126)
MFCD05319090
ZINC000002886699
ZINC02886699
ZINC2886699

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Available files

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