Vitas-M small molecule compound

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

Catalog ID
STL406291
SMILES OCCCNC=C1C(=O)NC(=S)NC1=O

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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 C8H11N3O3S MW 229.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11N3O3S/c12-3-1-2-9-4-5-6(13)10-8(15)11-7(5)14/h4,9,12H,1-3H2,(H2,10,11,13,14,15)
InChIKey
WCMPTFQGHYKBNQ-UHFFFAOYSA-N
Synonyms

5(((3HYDROXYPROPYL)AMINO)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(((3hydroxypropyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
5((3HYDROXYPROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C(CNC=C1C(=O)NC(=S)NC1=O)CO
InChI=1SC8H11N3O3Sc123129456(13)108(15)117(5)14h4912H13H2(H21011131415)
MFCD00697436
ZINC000006620285
ZINC06620285
ZINC6620285

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Available files

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