Vitas-M small molecule compound
(5Z)-1-(3-chlorophenyl)-5-[2-methyl-4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189439
SMILES Clc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2C)N2CCCC2)/C1=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 C22H20ClN3O2S MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O2S/c1-14-11-17(25-9-2-3-10-25)8-7-15(14)12-19-20(27)24-22(29)26(21(19)28)18-6-4-5-16(23)13-18/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,27,29)/b19-12-InChIKey
GVESNCJOGOHISN-UNOMPAQXSA-NSynonyms
(5Z)1(3chlorophenyl)5((2methyl4pyrrolidin1ylphenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(3CHLOROPHENYL)5(2METHYL4(PYRROLIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(cc2C)N2CCCC2)C1=O
InChI=1SC22H20ClN3O2Sc1141117(259231025)8715(14)121920(27)2422(29)26(21(19)28)1864516(23)1318h481113H23910H21H3(H242729)b1912
MFCD05040888
ZINC000019877786
ZINC19877786
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