Vitas-M small molecule compound
4-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL023852
SMILES CCN1C(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C(=O)N(C1=S)CC
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-3-21-17(24)16(18(25)22(4-2)20(21)28)12-15-6-5-11-23(15)14-9-7-13(8-10-14)19(26)27/h5-12H,3-4H2,1-2H3,(H,26,27)InChIKey
BMCMQTSRLXKLPN-UHFFFAOYSA-NSynonyms
445455-79-84(2((13DIETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(2((13diethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
445455798
CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)C(=O)N(C1=S)CC
InChI=1SC20H19N3O4Sc132117(24)16(18(25)22(42)20(21)28)1215651123(15)149713(81014)19(26)27h512H34H212H3(H2627)
MFCD03234882
ZINC000005100572
ZINC5100572
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