Vitas-M small molecule compound

(5E)-1-(4-fluorobenzyl)-5-{[(3-hydroxypropyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STL040700
SMILES OCCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(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 C15H16FN3O3S MW 337.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16FN3O3S/c16-11-4-2-10(3-5-11)9-19-14(22)12(8-17-6-1-7-20)13(21)18-15(19)23/h2-5,8,17,20H,1,6-7,9H2,(H,18,21,23)/b12-8+
InChIKey
PNTDXGHMNIHDJH-XYOKQWHBSA-N
Synonyms

(5E)1((4FLUOROPHENYL)METHYL)5((3HYDROXYPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4fluorobenzyl)5(((3hydroxypropyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
C1=CC(=CC=C1CN2C(=O)C(=CNCCCO)C(=O)NC2=S)F
InChI=1SC15H16FN3O3Sc16114210(3511)91914(22)12(81761720)13(21)1815(19)23h2581720H1679H2(H182123)b128+
MFCD05731124
OCCCNC=C1C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S
ZINC000005887760
ZINC000103099056
ZINC05887760
ZINC5887760

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Available files

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