Vitas-M small molecule compound
2-{4-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}propanoic acid
Catalog ID
STK187224
SMILES CC(C(=O)O)Oc1ccc(cc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-12(19(25)26)27-15-9-7-13(8-10-15)11-16-17(23)21-20(28)22(18(16)24)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,26)(H,21,23,28)/b16-11-InChIKey
BBDJDZJPXQUAJO-WJDWOHSUSA-NSynonyms
444178-70-52(4((Z)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)phenoxy)propanoicacid
2(4((Z)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
444178705
CC(C(=O)O)OC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3
CC(C(=O)O)Oc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC20H16N2O5Sc112(19(25)26)27159713(81015)111617(23)2120(28)22(18(16)24)145324614h212H1H3(H2526)(H212328)b1611
MFCD06666002
ZINC000019877611
ZINC000019877613
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