Vitas-M small molecule compound
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK559097
SMILES CN1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c1-10-13(16(25)22(21(10)3)11-7-5-4-6-8-11)18-9-12-14(23)19-17(26)20(2)15(12)24/h4-9,18H,1-3H3,(H,19,23,26)/b12-9+InChIKey
OWVBNHIXGZBGLJ-FMIVXFBMSA-NSynonyms
(5E)5(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)methylidene)1methyl2sulfanylpyrimidine46(1H5H)dione
(5E)5(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)NC(=S)N(C3=O)C
CN1C(=NC(=O)C(=CNc2c(=O)n(n(c2C)C)c2ccccc2)C1=O)S
InChI=1SC17H17N5O3Sc11013(16(25)22(21(10)3)117546811)1891214(23)1917(26)20(2)15(12)24h4918H13H3(H192326)b129+
MFCD03801645
ZINC000100774668
ZINC000102484497
ZINC02269099
ZINC100774668
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