Vitas-M small molecule compound
2-{(E)-[1-(2-ethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-N-phenylhydrazinecarbothioamide
Catalog ID
STK590393
SMILES CCOc1ccccc1N1C(=O)N=C(/C(=C\NNC(=S)Nc2ccccc2)/C1=O)O
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-2-29-16-11-7-6-10-15(16)25-18(27)14(17(26)23-20(25)28)12-21-24-19(30)22-13-8-4-3-5-9-13/h3-12,21H,2H2,1H3,(H2,22,24,30)(H,23,26,28)/b14-12+InChIKey
ISFMFSIZKCSPDI-WYMLVPIESA-NSynonyms
1(((E)(1(2ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)3PHENYLTHIOUREA
2((E)(1(2ethoxyphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)Nphenylhydrazinecarbothioamide
CCOC1=CC=CC=C1N2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=O
CCOc1ccccc1N1C(=O)N=C(C(=CNNC(=S)Nc2ccccc2)C1=O)O
InChI=1SC20H19N5O4Sc12291611761015(16)2518(27)14(17(26)2320(25)28)12212419(30)22138435913h31221H2H21H3(H2222430)(H232628)b1412+
MFCD07795934
ZINC000013512643
ZINC13512643
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