Vitas-M small molecule compound
(2-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK170749
SMILES OC(=O)COc1ccccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C19H13BrN2O6 MW 445.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrN2O6/c20-12-5-7-13(8-6-12)22-18(26)14(17(25)21-19(22)27)9-11-3-1-2-4-15(11)28-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,27)/b14-9+InChIKey
TWDQICCURIEFDH-NTEUORMPSA-NSynonyms
(2((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(Z)2(2((1(4bromophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)O
InChI=1SC19H13BrN2O6c20125713(8612)2218(26)14(17(25)2119(22)27)911312415(11)281016(23)24h19H10H2(H2324)(H212527)b149+
MFCD02624293
OC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
ZINC000001180346
ZINC1180346
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