Vitas-M small molecule compound
N-{(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}isoleucine
Catalog ID
STK562515
SMILES CCC(C(C(=O)O)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)C
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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 C17H18FN3O4S MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18FN3O4S/c1-3-9(2)13(16(24)25)19-8-12-14(22)20-17(26)21(15(12)23)11-6-4-10(18)5-7-11/h4-9,13,19H,3H2,1-2H3,(H,24,25)(H,20,22,26)/b12-8+InChIKey
PKZUWCDMMNHAON-XYOKQWHBSA-NSynonyms
CCC(C(C(=O)O)NC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)C
MFCD04080387
ZINC000020358181
ZINC000020358184
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