Vitas-M small molecule compound
dimethyl 2-[({(E)-(benzylamino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}carbamothioyl)amino]benzene-1,4-dicarboxylate
Catalog ID
STK207100
SMILES COC(=O)c1ccc(cc1NC(=S)/N=C(/Nc1nc(C)cc(n1)C)\NCc1ccccc1)C(=O)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 C25H26N6O4S MW 506.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O4S/c1-15-12-16(2)28-24(27-15)30-23(26-14-17-8-6-5-7-9-17)31-25(36)29-20-13-18(21(32)34-3)10-11-19(20)22(33)35-4/h5-13H,14H2,1-4H3,(H3,26,27,28,29,30,31,36)InChIKey
RFYVBLUYIHCSOL-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)NC(=NCC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C
COC(=O)c1ccc(cc1NC(=S)N=C(Nc1nc(C)cc(n1)C)NCc1ccccc1)C(=O)OC
dimethyl2((((E)(benzylamino)((46dimethylpyrimidin2yl)amino)methylidene)carbamothioyl)amino)benzene14dicarboxylate
dimethyl2((NbenzylN(46dimethylpyrimidin2yl)carbamimidoyl)carbamothioylamino)benzene14dicarboxylate
InChI=1SC25H26N6O4Sc1151216(2)2824(2715)3023(2614178657917)3125(36)29201318(21(32)343)101119(20)22(33)354h513H14H214H3(H326272829303136)
METHYL3(((2E)3((46DIMETHYLPYRIMIDIN2YL)AMINO)3(BENZYLAMINO)1THIOXO2AZAPROP2ENYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06754483
ZINC000018083924
ZINC18083924
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