Vitas-M small molecule compound
2-[(4-methyl-5-{3-[(4-methylphenyl)amino]-3-oxopropyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
Catalog ID
STK297645
SMILES CCC(C(=O)Nc1scc(n1)C)Sc1nnc(n1C)CCC(=O)Nc1ccc(cc1)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 C21H26N6O2S2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O2S2/c1-5-16(19(29)24-20-22-14(3)12-30-20)31-21-26-25-17(27(21)4)10-11-18(28)23-15-8-6-13(2)7-9-15/h6-9,12,16H,5,10-11H2,1-4H3,(H,23,28)(H,22,24,29)InChIKey
NSHSTRNHBVTZGV-UHFFFAOYSA-NSynonyms
2((4methyl5(3((4methylphenyl)amino)3oxopropyl)4H124triazol3yl)sulfanyl)N(4methyl13thiazol2yl)butanamide
2((4methyl5(3(4methylanilino)3oxopropyl)124triazol3yl)sulfanyl)N(4methyl13thiazol2yl)butanamide
CCC(C(=O)NC1=NC(=CS1)C)SC2=NN=C(N2C)CCC(=O)NC3=CC=C(C=C3)C
InChI=1SC21H26N6O2S2c1516(19(29)24202214(3)123020)3121262517(27(21)4)101118(28)23158613(2)7915h691216H51011H214H3(H2328)(H222429)
MFCD09192580
ZINC000010158325
ZINC000010158326
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