Vitas-M small molecule compound
4-(3-{(E)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK190223
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c1-14-9-15(2)11-21(10-14)29-24(31)22(23(30)27-26(29)34)13-19-12-16(3)28(17(19)4)20-7-5-18(6-8-20)25(32)33/h5-13H,1-4H3,(H,32,33)(H,27,30,34)/b22-13+InChIKey
WPMVJIXDIGBDCC-LPYMAVHISA-NSynonyms
4(3((E)(1(35DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
4(3((E)(1(35DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)C1=O
InChI=1SC26H23N3O4Sc114915(2)1121(1014)2924(31)22(23(30)2726(29)34)13191216(3)28(17(19)4)207518(6820)25(32)33h513H14H3(H3233)(H273034)b2213+
MFCD03714189
ZINC000002814332
ZINC2814332
Check stock
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Check stock on Vitas-MAvailable files
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