Vitas-M small molecule compound
2-[(Z)-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-N-phenylhydrazinecarbothioamide
Catalog ID
STK567908
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NNC(=S)Nc3ccccc3)/C2=O)O)ccc1OC
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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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-31-17-9-8-14(12-18(17)32-2)10-11-27-20(29)16(19(28)25-22(27)30)13-23-26-21(33)24-15-6-4-3-5-7-15/h3-9,12-13,23H,10-11H2,1-2H3,(H2,24,26,33)(H,25,28,30)/b16-13-InChIKey
FGFHLHKJLHQOKX-SSZFMOIBSA-NSynonyms
1(((Z)(1(2(34DIMETHOXYPHENYL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)3PHENYLTHIOUREA
2((Z)(1(2(34dimethoxyphenyl)ethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)Nphenylhydrazinecarbothioamide
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNNC(=S)NC3=CC=CC=C3)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=CNNC(=S)Nc3ccccc3)C2=O)O)ccc1OC
InChI=1SC22H23N5O5Sc131179814(1218(17)322)10112720(29)16(19(28)2522(27)30)13232621(33)24156435715h39121323H1011H212H3(H2242633)(H252830)b1613
MFCD05731522
ZINC000017247390
ZINC17247390
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