Vitas-M small molecule compound
(4-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK192687
SMILES OC(=O)COc1ccc(cc1)/C=C\1/C(=O)NC(=S)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 C19H13BrN2O5S MW 461.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrN2O5S/c20-12-3-5-13(6-4-12)22-18(26)15(17(25)21-19(22)28)9-11-1-7-14(8-2-11)27-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,28)/b15-9-InChIKey
NSQXHUMHTBXBGY-DHDCSXOGSA-NSynonyms
(4((Z)(1(4BROMOPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(4((Z)(1(4bromophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)aceticacid
C1=CC(=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)O
InChI=1SC19H13BrN2O5Sc20123513(6412)2218(26)15(17(25)2119(22)28)9111714(8211)271016(23)24h19H10H2(H2324)(H212528)b159
MFCD05039337
OC(=O)COc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
ZINC000009933362
ZINC9933362
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