Vitas-M small molecule compound
ethyl 1-{(Z)-[1-(3-chloro-4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}piperidine-4-carboxylate
Catalog ID
STL372434
SMILES CCOC(=O)C1CCN(CC1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)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 C20H22ClN3O4S MW 435.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4S/c1-3-28-19(27)13-6-8-23(9-7-13)11-15-17(25)22-20(29)24(18(15)26)14-5-4-12(2)16(21)10-14/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,22,25,29)/b15-11-InChIKey
RDSMQPXYOWPOOA-PTNGSMBKSA-NSynonyms
CCOC(=O)C1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)C
CCOC(=O)C1CCN(CC1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)C)Cl
ETHYL1((Z)(1(3CHLORO4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PIPERIDINE4CARBOXYLATE
ethyl1((Z)(1(3chloro4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)piperidine4carboxylate
InChI=1SC20H22ClN3O4Sc132819(27)136823(9713)111517(25)2220(29)24(18(15)26)145412(2)16(21)1014h45101113H369H212H3(H222529)b1511
MFCD03711792
ZINC000016212230
ZINC16212230
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