Vitas-M small molecule compound
4-[(5Z)-5-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK201672
SMILES COc1ccc(cc1)/C=C/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(=O)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 C21H16N2O5S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O5S/c1-28-16-11-5-13(6-12-16)3-2-4-17-18(24)22-21(29)23(19(17)25)15-9-7-14(8-10-15)20(26)27/h2-12H,1H3,(H,26,27)(H,22,24,29)/b3-2+,17-4-InChIKey
HGGGCQJRGWXNOI-FKJKDRHESA-NSynonyms
801243-74-34((5Z)5((2E)3(4METHOXYPHENYL)PROP2EN1YLIDENE)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
4((5Z)5((E)3(4methoxyphenyl)prop2enylidene)46dioxo2sulfanylidene13diazinan1yl)benzoicacid
801243743
COC1=CC=C(C=C1)C=CC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C(=O)O
COc1ccc(cc1)C=CC=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC21H16N2O5Sc1281611513(61216)3241718(24)2221(29)23(19(17)25)159714(81015)20(26)27h212H1H3(H2627)(H222429)b32+174
MFCD06666660
ZINC000009944292
ZINC9944292
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