Vitas-M small molecule compound
butyl 4-[({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK284561
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CN1CCOCC1
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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 C21H29N5O4S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O4S/c1-3-4-11-30-20(28)16-5-7-17(8-6-16)22-19(27)15-31-21-24-23-18(25(21)2)14-26-9-12-29-13-10-26/h5-8H,3-4,9-15H2,1-2H3,(H,22,27)InChIKey
ADCSHSTYIQJROI-UHFFFAOYSA-NSynonyms
BUTYL4((((4METHYL5(4MORPHOLINYLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
BUTYL4((((4METHYL5(MORPHOLIN4YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
butyl4((2((4methyl5(morpholin4ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3
InChI=1SC21H29N5O4Sc134113020(28)165717(8616)2219(27)153121242318(25(21)2)142691229131026h58H34915H212H3(H2227)
MFCD05881577
ZINC000019646316
ZINC19646316
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