Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK467599
SMILES CCn1c(SCC(=O)Nc2sc(c(c2C(=O)OC(C)C)C)C(=O)N)nnc1COc1ccccc1
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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 C23H27N5O5S2 MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5S2/c1-5-28-16(11-32-15-9-7-6-8-10-15)26-27-23(28)34-12-17(29)25-21-18(22(31)33-13(2)3)14(4)19(35-21)20(24)30/h6-10,13H,5,11-12H2,1-4H3,(H2,24,30)(H,25,29)InChIKey
DRNOCGVFAGPQLA-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)COC3=CC=CC=C3
InChI=1SC23H27N5O5S2c152816(11321597681015)262723(28)341217(29)252118(22(31)3313(2)3)14(4)19(3521)20(24)30h61013H51112H214H3(H22430)(H2529)
METHYLETHYL5CARBAMOYL2(2(4ETHYL5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD07063365
propan2yl5carbamoyl2((((4ethyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2((4ethyl5(phenoxymethyl)124triazol3yl)sulfanyl)acetyl)amino)4methylthiophene3carboxylate
ZINC000020214208
ZINC20214208
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