Vitas-M small molecule compound
(5E)-1-(butan-2-yl)-5-{[(2-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL049844
SMILES CCC(N1C(=NC(=O)/C(=C\NCCc2ccccc2)/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/c1-3-12(2)20-16(22)14(15(21)19-17(20)23)11-18-10-9-13-7-5-4-6-8-13/h4-8,11-12,18H,3,9-10H2,1-2H3,(H,19,21,23)/b14-11+InChIKey
NXNWSJHQKTZZRU-SDNWHVSQSA-NSynonyms
(5E)1(butan2yl)5(((2phenylethyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1butan2yl5((2phenylethylamino)methylidene)2sulfanylidene13diazinane46dione
(5E)1BUTAN2YL5((PHENETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCC(C)N1C(=O)C(=CNCCC2=CC=CC=C2)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNCCc2ccccc2)C1=O)S)C
InChI=1SC17H21N3O2Sc1312(2)2016(22)14(15(21)1917(20)23)1118109137546813h48111218H3910H212H3(H192123)b1411+
MFCD05731318
ZINC000005925083
ZINC000005925146
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