Vitas-M small molecule compound
ethyl 4-methyl-3-{[({[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]methyl}benzoate
Catalog ID
STK736545
SMILES CCOC(=O)c1ccc(c(c1)CNC(=O)CSc1nnc(n1c1ccccc1)CN1CCOCC1)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 C26H31N5O4S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O4S/c1-3-35-25(33)20-10-9-19(2)21(15-20)16-27-24(32)18-36-26-29-28-23(17-30-11-13-34-14-12-30)31(26)22-7-5-4-6-8-22/h4-10,15H,3,11-14,16-18H2,1-2H3,(H,27,32)InChIKey
CKMVPMBAZGVUTN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4
ethyl4methyl3(((((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)methyl)benzoate
ETHYL4METHYL3(((2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)METHYL)BENZOATE
InChI=1SC26H31N5O4Sc133525(33)2010919(2)21(1520)162724(32)183626292823(1730111334141230)31(26)227546822h41015H311141618H212H3(H2732)
MFCD07658479
ZINC000012410895
ZINC12410895
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