Vitas-M small molecule compound
(4-{(Z)-[1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-chlorophenoxy)acetic acid
Catalog ID
STK192731
SMILES OC(=O)COc1ccc(cc1Cl)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)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 C19H12BrClN2O5S MW 495.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrClN2O5S/c20-11-2-1-3-12(8-11)23-18(27)13(17(26)22-19(23)29)6-10-4-5-15(14(21)7-10)28-9-16(24)25/h1-8H,9H2,(H,24,25)(H,22,26,29)/b13-6-InChIKey
TUYLUTBOYPYCOK-MLPAPPSSSA-NSynonyms
(4((Z)(1(3BROMOPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2CHLOROPHENOXY)ACETICACID
2(4((Z)(1(3BROMOPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2CHLOROPHENOXY)ACETICACID
C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=S
InChI=1SC19H12BrClN2O5Sc201121312(811)2318(27)13(17(26)2219(23)29)6104515(14(21)710)28916(24)25h18H9H2(H2425)(H222629)b136
MFCD04493349
OC(=O)COc1ccc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
ZINC000012363121
ZINC12363121
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