Vitas-M small molecule compound
2-chloro-5-{3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK176339
SMILES O=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)C(=O)N1C
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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 C20H18ClN3O5 MW 415.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O5/c1-10-7-12(8-15-17(25)22(3)20(29)23(4)18(15)26)11(2)24(10)13-5-6-16(21)14(9-13)19(27)28/h5-9H,1-4H3,(H,27,28)InChIKey
MWQAKTMFZOWULE-UHFFFAOYSA-NSynonyms
428825-54-12CHLORO5(3((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
2CHLORO5(3((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
428825541
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC20H18ClN3O5c110712(81517(25)22(3)20(29)23(4)18(15)26)11(2)24(10)135616(21)14(913)19(27)28h59H14H3(H2728)
MFCD02605349
ZINC000004704459
ZINC4704459
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