Vitas-M small molecule compound
(2-bromo-6-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-4-iodophenoxy)acetic acid
Catalog ID
STK190174
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(I)cc(c2OCC(=O)O)Br)/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 C16H12BrIN2O5S MW 551.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrIN2O5S/c1-2-3-20-15(24)10(14(23)19-16(20)26)5-8-4-9(18)6-11(17)13(8)25-7-12(21)22/h2,4-6H,1,3,7H2,(H,21,22)(H,19,23,26)/b10-5+InChIKey
GVFFJYMCALLYOV-BJMVGYQFSA-NSynonyms
(2BROMO6((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)4IODOPHENOXY)ACETICACID
2(2bromo6((E)(46dioxo1prop2enyl2sulfanylidene13diazinan5ylidene)methyl)4iodophenoxy)aceticacid
C=CCN1C(=O)C(=CC2=CC(=CC(=C2OCC(=O)O)Br)I)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2cc(I)cc(c2OCC(=O)O)Br)C1=O
InChI=1SC16H12BrIN2O5Sc1232015(24)10(14(23)1916(20)26)5849(18)611(17)13(8)25712(21)22h246H137H2(H2122)(H192326)b105+
MFCD04556618
ZINC000097960989
ZINC97960989
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