Vitas-M small molecule compound
diethyl 3-methyl-5-{[({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK305015
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC2CCCO2)Cn2ccc(n2)C)sc(c1C)C(=O)OCC
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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 C25H32N6O6S2 MW 576.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N6O6S2/c1-5-35-23(33)20-16(4)21(24(34)36-6-2)39-22(20)26-19(32)14-38-25-28-27-18(13-30-10-9-15(3)29-30)31(25)12-17-8-7-11-37-17/h9-10,17H,5-8,11-14H2,1-4H3,(H,26,32)InChIKey
BQVZGDRJJVSIKH-UHFFFAOYSA-NSynonyms
1005637-61-51005637615
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC3CCCO3)CN4C=CC(=N4)C
diethyl3methyl5((((5((3methyl1Hpyrazol1yl)methyl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene24dicarboxylate
diethyl3methyl5((2((5((3methylpyrazol1yl)methyl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)thiophene24dicarboxylate
InChI=1SC25H32N6O6S2c153523(33)2016(4)21(24(34)3662)3922(20)2619(32)143825282718(133010915(3)2930)31(25)121787113717h91017H581114H214H3(H2632)
MFCD04049353
ZINC000097948513
ZINC000097948514
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