Vitas-M small molecule compound
(5E)-1-benzyl-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL042197
SMILES COc1cc(CN/C=C/2\C(=O)N=C(N(C2=O)Cc2ccccc2)S)cc(c1)OC
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-27-16-8-15(9-17(10-16)28-2)11-22-12-18-19(25)23-21(29)24(20(18)26)13-14-6-4-3-5-7-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,25,29)/b18-12+InChIKey
CQMDKYGLIFQIBA-LDADJPATSA-NSynonyms
(5E)1benzyl5(((35dimethoxybenzyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1BENZYL5(((35DIMETHOXYPHENYL)METHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC(=CC(=C1)CNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3)OC
COc1cc(CNC=C2C(=O)N=C(N(C2=O)Cc2ccccc2)S)cc(c1)OC
InChI=1SC21H21N3O4Sc12716815(917(1016)282)1122121819(25)2321(29)24(20(18)26)13146435714h3101222H1113H212H3(H232529)b1812+
MFCD05732293
ZINC000002393327
ZINC2393327
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