Vitas-M small molecule compound
methyl {2-bromo-4-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Catalog ID
STK187908
SMILES COC(=O)COc1ccc(cc1Br)/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 C20H15BrN2O5S MW 475.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O5S/c1-27-17(24)11-28-16-8-7-12(10-15(16)21)9-14-18(25)22-20(29)23(19(14)26)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,25,29)/b14-9-InChIKey
IDSAYMQVYLMHSM-ZROIWOOFSA-NSynonyms
COC(=O)COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br
COC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC20H15BrN2O5Sc12717(24)1128168712(1015(16)21)91418(25)2220(29)23(19(14)26)135324613h210H11H21H3(H222529)b149
METHYL(2BROMO4((Z)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
methyl2(2bromo4((Z)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
MFCD02628759
ZINC000009311377
ZINC09311377
ZINC9311377
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