Vitas-M small molecule compound
1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK763965
SMILES CCN1C(=O)C(=Cc2cccn2c2ccc(cc2)[N+](=O)[O-])C(=O)N(C1=S)CC
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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-3-20-17(24)16(18(25)21(4-2)19(20)28)12-15-6-5-11-22(15)13-7-9-14(10-8-13)23(26)27/h5-12H,3-4H2,1-2H3InChIKey
YFLNINULKXAIPG-UHFFFAOYSA-NSynonyms
13diethyl5((1(4nitrophenyl)1Hpyrrol2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
13DIETHYL5((1(4NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N(C1=S)CC
CCN1C(=O)C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C(=O)N(C1=S)CC
InChI=1SC19H18N4O4Sc132017(24)16(18(25)21(42)19(20)28)1215651122(15)137914(10813)23(26)27h512H34H212H3
MFCD02212640
ZINC000001067282
ZINC01067282
ZINC1067282
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