Vitas-M small molecule compound
ethyl 4-{[({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK134145
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccccc1
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-3-31-21(30)15-9-11-17(12-10-15)24-20(29)14-32-22-26-25-18(27(22)2)13-19(28)23-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,23,28)(H,24,29)InChIKey
PFWWNWWDFYKFCP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3
ETHYL4((((4METHYL5(2OXO2(PHENYLAMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(2ANILINO2OXOETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H23N5O4Sc133121(30)1591117(121015)2420(29)143222262518(27(22)2)1319(28)23167546816h412H31314H212H3(H2328)(H2429)
MFCD04403111
ZINC000002851183
ZINC02851183
ZINC2851183
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