Vitas-M small molecule compound
ethyl 5-carbamoyl-2-[({[5-cyclopropyl-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK473962
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC2CCCO2)C2CC2)sc(c1C)C(=O)N
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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 C21H27N5O5S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O5S2/c1-3-30-20(29)15-11(2)16(17(22)28)33-19(15)23-14(27)10-32-21-25-24-18(12-6-7-12)26(21)9-13-5-4-8-31-13/h12-13H,3-10H2,1-2H3,(H2,22,28)(H,23,27)InChIKey
BQIRUZBXLVOSLN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CC4
ethyl5carbamoyl2((((5cyclopropyl4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4methylthiophene3carboxylate
ethyl5carbamoyl2((2((5cyclopropyl4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4methylthiophene3carboxylate
ETHYL5CARBAMOYL2(2(5CYCLOPROPYL4(OXOLAN2YLMETHYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H27N5O5S2c133020(29)1511(2)16(17(22)28)3319(15)2314(27)103221252418(126712)26(21)9135483113h1213H310H212H3(H22228)(H2327)
MFCD06036472
ZINC000020168076
ZINC000020168077
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