Vitas-M small molecule compound
(5E)-1-(butan-2-yl)-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
Catalog ID
STL046888
SMILES CCC(N1C(=NC(=O)/C(=C\NCC2CCCO2)/C1=O)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 C14H21N3O3S MW 311.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3O3S/c1-3-9(2)17-13(19)11(12(18)16-14(17)21)8-15-7-10-5-4-6-20-10/h8-10,15H,3-7H2,1-2H3,(H,16,18,21)/b11-8+InChIKey
CHLNUKPEYHOJNV-DHZHZOJOSA-NSynonyms
(5E)1(butan2yl)2sulfanyl5(((tetrahydrofuran2ylmethyl)amino)methylidene)pyrimidine46(1H5H)dione
(5E)1BUTAN2YL5((OXOLAN2YLMETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1SECBUTYL5(1((TETRAHYDROFURAN2YLMETHYL)AMINO)METH(E)YLIDENE)2THIOXODIHYDROPYRIMIDINE46DIONE
CCC(C)N1C(=O)C(=CNCC2CCCO2)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNCC2CCCO2)C1=O)S)C
InChI=1SC14H21N3O3Sc139(2)1713(19)11(12(18)1614(17)21)8157105462010h81015H37H212H3(H161821)b118+
MFCD04076811
ZINC000005817698
ZINC000020267467
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