Vitas-M small molecule compound
ethyl 4-({[4-(pyridin-4-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STK690265
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)C(=O)c1ccncc1
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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-2-27-19(26)16-3-5-17(6-4-16)22-20(28)24-13-11-23(12-14-24)18(25)15-7-9-21-10-8-15/h3-10H,2,11-14H2,1H3,(H,22,28)InChIKey
FBYZKUUUDUUDAI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=NC=C3
ETHYL4(((4(PYRIDIN4YLCARBONYL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZOATE
ethyl4((4(pyridine4carbonyl)piperazine1carbothioyl)amino)benzoate
InChI=1SC20H22N4O3Sc122719(26)163517(6416)2220(28)24131123(121424)18(25)15792110815h310H21114H21H3(H2228)
MFCD09063433
ZINC000015080617
ZINC15080617
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