Vitas-M small molecule compound

methyl 4-[({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK697017
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)c1ccc(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 C21H19FN4O3S MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O3S/c1-3-12-26-19(14-4-8-16(22)9-5-14)24-25-21(26)30-13-18(27)23-17-10-6-15(7-11-17)20(28)29-2/h3-11H,1,12-13H2,2H3,(H,23,27)
InChIKey
AGRQOCSHELSHST-UHFFFAOYSA-N
Synonyms
896594-49-3
896594493
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F
InChI=1SC21H19FN4O3Sc13122619(144816(22)9514)242521(26)301318(27)231710615(71117)20(28)292h311H11213H22H3(H2327)
methyl4((((5(4fluorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(4FLUOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5(4fluorophenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(4FLUOROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5(4FLUOROPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD06593466
ZINC000002442618
ZINC02442618
ZINC2442618

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Available files

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