Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK855890
SMILES Cc1cccc(c1)N1C(=NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O)S
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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 C24H20N4O4S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S/c1-14-6-4-7-18(10-14)27-23(30)21(22(29)25-24(27)33)12-17-11-15(2)26(16(17)3)19-8-5-9-20(13-19)28(31)32/h4-13H,1-3H3,(H,25,29,33)/b21-12+InChIKey
RIZDGONQIHKFAD-CIAFOILYSA-NSynonyms
(5E)5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)1(3methylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLENE)1(3METHYLPHENYL)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)(N+)(=O)(O))C)C(=O)NC2=S
Cc1cccc(c1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O)S
InChI=1SC24H20N4O4Sc11464718(1014)2723(30)21(22(29)2524(27)33)12171115(2)26(16(17)3)1985920(1319)28(31)32h413H13H3(H252933)b2112+
MFCD08729525
ZINC000008997269
ZINC8997269
Check stock
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Check stock on Vitas-MAvailable files
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