Vitas-M small molecule compound
2-chloro-5-(3-{(E)-[1-(2,4-dimethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK198960
SMILES COc1ccc(c(c1)OC)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 C26H22ClN3O6S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O6S/c1-13-9-15(14(2)29(13)16-5-7-20(27)18(11-16)25(33)34)10-19-23(31)28-26(37)30(24(19)32)21-8-6-17(35-3)12-22(21)36-4/h5-12H,1-4H3,(H,33,34)(H,28,31,37)/b19-10+InChIKey
CGMGFLADZMFIHC-VXLYETTFSA-NSynonyms
2CHLORO5(3((1(24DIMETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2CHLORO5(3((E)(1(24DIMETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO5(3((E)(1(24DIMETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)C1=O
InChI=1SC26H22ClN3O6Sc113915(14(2)29(13)165720(27)18(1116)25(33)34)101923(31)2826(37)30(24(19)32)218617(353)1222(21)364h512H14H3(H3334)(H283137)b1910+
MFCD03864255
ZINC000097944551
ZINC97944551
Check stock
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Check stock on Vitas-MAvailable files
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