Vitas-M small molecule compound
methyl 4-{(Z)-[1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoate
Catalog ID
STK192563
SMILES COC(=O)c1ccc(cc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
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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 C20H15BrN2O4S MW 459.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4S/c1-11-9-14(21)7-8-16(11)23-18(25)15(17(24)22-20(23)28)10-12-3-5-13(6-4-12)19(26)27-2/h3-10H,1-2H3,(H,22,24,28)/b15-10-InChIKey
PJXKDGZHTOIVGT-GDNBJRDFSA-NSynonyms
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C(=O)NC2=S
COC(=O)c1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br
InChI=1SC20H15BrN2O4Sc111914(21)7816(11)2318(25)15(17(24)2220(23)28)10123513(6412)19(26)272h310H12H3(H222428)b1510
METHYL4((Z)(1(4BROMO2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)BENZOATE
METHYL4((Z)(1(4BROMO2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)BENZOATE
MFCD02379659
ZINC000012363047
ZINC12363047
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