Vitas-M small molecule compound

methyl (3-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate

Catalog ID
STL049175
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)S

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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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-30-19(27)12-25-11-13(16-4-2-3-5-18(16)25)10-17-20(28)24-22(31)26(21(17)29)15-8-6-14(23)7-9-15/h2-11H,12H2,1H3,(H,24,28,31)/b17-10-
InChIKey
IXNLPDZVWWAHSN-YVLHZVERSA-N
Synonyms
678180-80-8
678180808
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S
MFCD05727434
ZINC000002403476

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Available files

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