Vitas-M small molecule compound

1,3-dimethyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL235390
SMILES CN1C(=S)N(C)C(=O)C(=CNCCN2CCNCC2)C1=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 C13H21N5O2S MW 311.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21N5O2S/c1-16-11(19)10(12(20)17(2)13(16)21)9-15-5-8-18-6-3-14-4-7-18/h9,14-15H,3-8H2,1-2H3
InChIKey
KEZZOKZWPBEFFS-UHFFFAOYSA-N
Synonyms

13dimethyl5(((2(piperazin1yl)ethyl)amino)methylene)2thioxodihydropyrimidine46(1H5H)dione
13dimethyl5(((2(piperazin1yl)ethyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
13DIMETHYL5((2PIPERAZIN1YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CN1C(=O)C(=CNCCN2CCNCC2)C(=O)N(C1=S)C
InChI=1SC13H21N5O2Sc11611(19)10(12(20)17(2)13(16)21)915581863144718h91415H38H212H3
MFCD02997742
ZINC000019370555
ZINC19370555

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Available files

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