Vitas-M small molecule compound
ethyl 2-({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-8-carboxylate
Catalog ID
STK964458
SMILES CCOC(=O)c1ccn2c1[nH]c(CSc1nnc(n1CC)c1nn(c(c1)C)C)cc2=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 C20H23N7O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O3S/c1-5-26-18(15-9-12(3)25(4)24-15)22-23-20(26)31-11-13-10-16(28)27-8-7-14(17(27)21-13)19(29)30-6-2/h7-10,21H,5-6,11H2,1-4H3InChIKey
FRUVDCLFCVXAOH-UHFFFAOYSA-NSynonyms
1005637-82-01005637820
CCN1C(=NN=C1SCC2=CC(=O)N3C=CC(=C3N2)C(=O)OCC)C4=NN(C(=C4)C)C
CCOC(=O)c1ccn2c1(nH)c(CSc1nnc(n1CC)c1nn(c(c1)C)C)cc2=O
ethyl2(((5(15dimethyl1Hpyrazol3yl)4ethyl4H124triazol3yl)sulfanyl)methyl)4oxo14dihydropyrrolo(12a)pyrimidine8carboxylate
ETHYL2((5(15DIMETHYLPYRAZOL3YL)4ETHYL124TRIAZOL3YL)SULFANYLMETHYL)4OXO1HPYRROLO(12A)PYRIMIDINE8CARBOXYLATE
InChI=1SC20H23N7O3Sc152618(15912(3)25(4)2415)222320(26)3111131016(28)278714(17(27)2113)19(29)3062h71021H5611H214H3
MFCD04049565
ZINC000002783560
ZINC2783560
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