Vitas-M small molecule compound
ethyl 1-{(E)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}piperidine-4-carboxylate
Catalog ID
STL371759
SMILES CCOC(=O)C1CCN(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 C19H20BrN3O4S MW 466.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN3O4S/c1-2-27-18(26)12-7-9-22(10-8-12)11-15-16(24)21-19(28)23(17(15)25)14-5-3-13(20)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,21,24,28)/b15-11+InChIKey
JBSUBNDIBIBGNM-RVDMUPIBSA-NSynonyms
CCOC(=O)C1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br
CCOC(=O)C1CCN(CC1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br
ETHYL1((E)(1(4BROMOPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PIPERIDINE4CARBOXYLATE
ethyl1((E)(1(4bromophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)piperidine4carboxylate
InChI=1SC19H20BrN3O4Sc122718(26)127922(10812)111516(24)2119(28)23(17(15)25)145313(20)4614h361112H2710H21H3(H212428)b1511+
MFCD03553204
ZINC000101328338
ZINC101328338
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