Vitas-M small molecule compound
(2-bromo-4-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK197621
SMILES OC(=O)COc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
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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/c1-11-2-5-13(6-3-11)23-19(27)14(18(26)22-20(23)29)8-12-4-7-16(15(21)9-12)28-10-17(24)25/h2-9H,10H2,1H3,(H,24,25)(H,22,26,29)/b14-8+InChIKey
WEFFDPQYQUUNHT-RIYZIHGNSA-NSynonyms
5947-54-6(2BROMO4((E)(1(4METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2BROMO4((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
5947546
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Br)C(=O)NC2=S
InChI=1SC20H15BrN2O5Sc1112513(6311)2319(27)14(18(26)2220(23)29)8124716(15(21)912)281017(24)25h29H10H21H3(H2425)(H222629)b148+
MFCD02084969
OC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
ZINC000002883632
ZINC2883632
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