Vitas-M small molecule compound

dimethyl 2-[({[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK401151
SMILES CCn1c(SCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)nnc1c1ccc(cc1)F

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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 C22H21FN4O5S MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O5S/c1-4-27-19(13-5-8-15(23)9-6-13)25-26-22(27)33-12-18(28)24-17-11-14(20(29)31-2)7-10-16(17)21(30)32-3/h5-11H,4,12H2,1-3H3,(H,24,28)
InChIKey
CHHFCMQQTVVHKX-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)F
dimethyl2((((4ethyl5(4fluorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
dimethyl2((2((4ethyl5(4fluorophenyl)124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
InChI=1SC22H21FN4O5Sc142719(135815(23)9613)252622(27)331218(28)24171114(20(29)312)71016(17)21(30)323h511H412H213H3(H2428)
METHYL3(2(4ETHYL5(4FLUOROPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06156046
ZINC000010229698
ZINC10229698

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Available files

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