Vitas-M small molecule compound
(5E)-1-(4-fluorophenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187478
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)[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/c22-13-6-8-14(9-7-13)25-20(28)18(19(27)23-21(25)31)12-16-5-2-10-24(16)15-3-1-4-17(11-15)26(29)30/h1-12H,(H,23,27,31)/b18-12+InChIKey
BRROCHWAWVAGNQ-LDADJPATSA-NSynonyms
(5E)1(4FLUOROPHENYL)5((1(3NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(4FLUOROPHENYL)5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=CC(=C1)(N+)(=O)(O))N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC21H13FN4O4Sc22136814(9713)2520(28)18(19(27)2321(25)31)1216521024(16)1531417(1115)26(29)30h112H(H232731)b1812+
MFCD06666045
ZINC000002993269
ZINC2993269
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