Vitas-M small molecule compound
2-(4-{(E)-[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK199758
SMILES Cc1cccc(c1)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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-12-4-3-5-15(10-12)23-19(25)17(18(24)22-21(23)29)11-14-6-8-16(9-7-14)28-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,29)/b17-11+InChIKey
BWWGBSWDKXRQKR-GZTJUZNOSA-NSynonyms
2(4((E)(1(3METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((E)(1(3METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=S
Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OC(C(=O)O)C)C1=O
InChI=1SC21H18N2O5Sc11243515(1012)2319(25)17(18(24)2221(23)29)11146816(9714)2813(2)20(26)27h31113H12H3(H2627)(H222429)b1711+
MFCD02636619
ZINC000002968516
ZINC000002968520
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