Vitas-M small molecule compound
4-({2-bromo-4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK187112
SMILES S=C1NC(=O)C(=Cc2ccc(c(c2)Br)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 C19H13BrN2O5S MW 461.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrN2O5S/c20-14-8-11(7-13-16(23)21-19(28)22-17(13)24)3-6-15(14)27-9-10-1-4-12(5-2-10)18(25)26/h1-8H,9H2,(H,25,26)(H2,21,22,23,24,28)InChIKey
QTWYKXQJIRORSB-UHFFFAOYSA-NSynonyms
4((2BROMO4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2BROMO4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br)C(=O)O
InChI=1SC19H13BrN2O5Sc2014811(71316(23)2119(28)2217(13)24)3615(14)279101412(5210)18(25)26h18H9H2(H2526)(H22122232428)
MFCD02084940
ZINC000009311427
ZINC9311427
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