Vitas-M small molecule compound
(5E)-1-(butan-2-yl)-5-{[(1-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL041895
SMILES CCC(N1C(=NC(=O)/C(=C\NC(c2ccccc2)C)/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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-4-11(2)20-16(22)14(15(21)19-17(20)23)10-18-12(3)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3,(H,19,21,23)/b14-10+InChIKey
KTLGVBLLQAZAKD-GXDHUFHOSA-NSynonyms
(5E)1(butan2yl)5(((1phenylethyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1BUTAN2YL5((1PHENYLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCC(C)N1C(=O)C(=CNC(C)C2=CC=CC=C2)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNC(c2ccccc2)C)C1=O)S)C
InChI=1SC17H21N3O2Sc1411(2)2016(22)14(15(21)1917(20)23)101812(3)138657913h51218H4H213H3(H192123)b1410+
MFCD05736431
ZINC000097969276
ZINC000097969279
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