Vitas-M small molecule compound

ethyl (2E)-3-amino-2-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)but-2-enoate

Catalog ID
STK666031
SMILES CCOC(=O)/C(=C(/N)\C)/C(=O)CSc1nnc(n1C)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 C17H19FN4O3S MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FN4O3S/c1-4-25-16(24)14(10(2)19)13(23)9-26-17-21-20-15(22(17)3)11-5-7-12(18)8-6-11/h5-8H,4,9,19H2,1-3H3/b14-10+
InChIKey
BAVHAUPPFPOMDI-GXDHUFHOSA-N
Synonyms

CCOC(=O)C(=C(C)N)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)F
CCOC(=O)C(=C(N)C)C(=O)CSc1nnc(n1C)c1ccc(cc1)F
ethyl(2E)3amino2(((5(4fluorophenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)but2enoate
ETHYL(E)3AMINO2(2((5(4FLUOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)BUT2ENOATE
InChI=1SC17H19FN4O3Sc142516(24)14(10(2)19)13(23)92617212015(22(17)3)115712(18)8611h58H4919H213H3b1410+
MFCD05854533
ZINC000100167727
ZINC100167727

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Available files

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