Vitas-M small molecule compound
4-({4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,6-diiodophenoxy}methyl)benzoic acid
Catalog ID
STK190141
SMILES S=C1NC(=O)C(=Cc2cc(I)c(c(c2)I)OCc2ccc(cc2)C(=O)O)C(=O)N1
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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 C19H12I2N2O5S MW 634.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12I2N2O5S/c20-13-6-10(5-12-16(24)22-19(29)23-17(12)25)7-14(21)15(13)28-8-9-1-3-11(4-2-9)18(26)27/h1-7H,8H2,(H,26,27)(H2,22,23,24,25,29)InChIKey
UMJUGCYTGUUQPS-UHFFFAOYSA-NSynonyms
4((4((46dioxo2sulfanylidene13diazinan5ylidene)methyl)26diiodophenoxy)methyl)benzoicacid
4((4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)26DIIODOPHENOXY)METHYL)BENZOICACID
C1=CC(=CC=C1COC2=C(C=C(C=C2I)C=C3C(=O)NC(=S)NC3=O)I)C(=O)O
InChI=1SC19H12I2N2O5Sc2013610(51216(24)2219(29)2317(12)25)714(21)15(13)28891311(429)18(26)27h17H8H2(H2627)(H22223242529)
MFCD02085104
ZINC000150345694
ZINC150345694
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