Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195462
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/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 C24H20N4O4S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S/c1-14-4-6-19(7-5-14)27-23(30)21(22(29)25-24(27)33)13-17-12-15(2)26(16(17)3)18-8-10-20(11-9-18)28(31)32/h4-13H,1-3H3,(H,25,29,33)/b21-13+InChIKey
DUISTVSWODOTSU-FYJGNVAPSA-NSynonyms
292640-49-4(5E)5((25DIMETHYL1(4NITROPHENYL)1HPYRROL3YL)METHYLIDENE)1(4METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(E)5((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylene)2thioxo1(ptolyl)dihydropyrimidine46(1H5H)dione
292640494
CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)(N+)(=O)(O))C)C(=O)NC2=S
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C1=O
InChI=1SC24H20N4O4Sc1144619(7514)2723(30)21(22(29)2524(27)33)13171215(2)26(16(17)3)1881020(11918)28(31)32h413H13H3(H252933)b2113+
MFCD01909679
ZINC000001195149
ZINC1195149
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.