Vitas-M small molecule compound

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

Catalog ID
STK219131
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1COc1cc(C)ccc1C

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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 C25H28N4O4S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4S/c1-5-13-29-22(15-33-21-14-17(3)7-8-18(21)4)27-28-25(29)34-16-23(30)26-20-11-9-19(10-12-20)24(31)32-6-2/h5,7-12,14H,1,6,13,15-16H2,2-4H3,(H,26,30)
InChIKey
OEOSXMYCOJTLGX-UHFFFAOYSA-N
Synonyms

4(2(4ALLYL5(25DIMETHYLPHENOXYMETHYL)4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=C(C=CC(=C3)C)C
ETHYL4((((5((25DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5((25DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC25H28N4O4Sc15132922(1533211417(3)7818(21)4)272825(29)341623(30)262011919(101220)24(31)3262h571214H16131516H224H3(H2630)
MFCD06628371
ZINC000009302473
ZINC09302473
ZINC9302473

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Available files

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