Vitas-M small molecule compound
2-(4-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK187982
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)OC(C(=O)O)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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-3-14-4-8-16(9-5-14)24-20(26)18(19(25)23-22(24)30)12-15-6-10-17(11-7-15)29-13(2)21(27)28/h4-13H,3H2,1-2H3,(H,27,28)(H,23,25,30)/b18-12-InChIKey
MPJDNUYJFTXQPH-PDGQHHTCSA-NSynonyms
425684-65-72(4((Z)(1(4ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((Z)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
425684657
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OC(C(=O)O)C)C1=O
InChI=1SC22H20N2O5Sc13144816(9514)2420(26)18(19(25)2322(24)30)121561017(11715)2913(2)21(27)28h413H3H212H3(H2728)(H232530)b1812
MFCD04527957
ZINC000009311461
ZINC000009311462
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