Vitas-M small molecule compound
ethyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK303011
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC(C)C)c2n(C)nc(c2Cl)C)sc(c1C)C
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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 C22H29ClN6O3S2 MW 525.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29ClN6O3S2/c1-8-32-21(31)16-12(4)14(6)34-20(16)24-15(30)10-33-22-26-25-19(29(22)9-11(2)3)18-17(23)13(5)27-28(18)7/h11H,8-10H2,1-7H3,(H,24,30)InChIKey
IIYYNSILNHMHTL-UHFFFAOYSA-NSynonyms
1005618-38-11005618381
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=C(C(=NN3C)C)Cl
ethyl2((((5(4chloro13dimethyl1Hpyrazol5yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ETHYL2((2((5(4CHLORO25DIMETHYLPYRAZOL3YL)4(2METHYLPROPYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H29ClN6O3S2c183221(31)1612(4)14(6)3420(16)2415(30)103322262519(29(22)911(2)3)1817(23)13(5)2728(18)7h11H810H217H3(H2430)
MFCD04048713
ZINC000002758670
ZINC02758670
ZINC2758670
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