Vitas-M small molecule compound
(5Z)-1-(3-fluorophenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190302
SMILES Fc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C1=O
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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 C21H13FN4O4S MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FN4O4S/c22-13-3-1-4-17(11-13)25-20(28)18(19(27)23-21(25)31)12-16-5-2-10-24(16)14-6-8-15(9-7-14)26(29)30/h1-12H,(H,23,27,31)/b18-12-InChIKey
CARJITBWCKHTHY-PDGQHHTCSA-NSynonyms
(5Z)1(3FLUOROPHENYL)5((1(4NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3FLUOROPHENYL)5((1(4NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=CC(=C1)F)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
Fc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC21H13FN4O4Sc221331417(1113)2520(28)18(19(27)2321(25)31)1216521024(16)146815(9714)26(29)30h112H(H232731)b1812
MFCD05625456
ZINC000009264426
ZINC09264426
ZINC9264426
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