Vitas-M small molecule compound
4-({2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK190128
SMILES CCN1C(=O)C(=Cc2ccccc2OCc2ccc(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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-3-24-20(26)18(21(27)25(4-2)23(24)31)13-17-7-5-6-8-19(17)30-14-15-9-11-16(12-10-15)22(28)29/h5-13H,3-4,14H2,1-2H3,(H,28,29)InChIKey
BFKDCGJVDLMNDG-UHFFFAOYSA-NSynonyms
4((2((13DIETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((13DIETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C(=O)N(C1=S)CC
InChI=1SC23H22N2O5Sc132420(26)18(21(27)25(42)23(24)31)1317756819(17)30141591116(121015)22(28)29h513H3414H212H3(H2829)
MFCD03706351
ZINC000009258960
ZINC9258960
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