Vitas-M small molecule compound
2-chloro-5-(3-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK188021
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)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 C26H22ClN3O4S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4S/c1-4-16-5-7-18(8-6-16)30-24(32)21(23(31)28-26(30)35)12-17-11-14(2)29(15(17)3)19-9-10-22(27)20(13-19)25(33)34/h5-13H,4H2,1-3H3,(H,33,34)(H,28,31,35)/b21-12+InChIKey
TZANZGBCGDHSJH-CIAFOILYSA-NSynonyms
496767-29-42CHLORO5(3((1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2CHLORO5(3((E)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO5(3((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
496767294
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)C(=O)O)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)C1=O
InChI=1SC26H22ClN3O4Sc14165718(8616)3024(32)21(23(31)2826(30)35)12171114(2)29(15(17)3)1991022(27)20(1319)25(33)34h513H4H213H3(H3334)(H283135)b2112+
MFCD03080834
ZINC000002730170
ZINC2730170
Check stock
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Check stock on Vitas-MAvailable files
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