Vitas-M small molecule compound
methyl 2-{[({4-ethyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK129751
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1CC(=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/c1-3-27-18(13-19(28)23-15-9-5-4-6-10-15)25-26-22(27)32-14-20(29)24-17-12-8-7-11-16(17)21(30)31-2/h4-12H,3,13-14H2,1-2H3,(H,23,28)(H,24,29)InChIKey
KIWQUDVDLMACHT-UHFFFAOYSA-NSynonyms
2(2(4ETHYL5PHENYLCARBAMOYLMETHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CC(=O)NC3=CC=CC=C3
InChI=1SC22H23N5O4Sc132718(1319(28)231595461015)252622(27)321420(29)241712871116(17)21(30)312h412H31314H212H3(H2328)(H2429)
METHYL2((((4ETHYL5(2OXO2(PHENYLAMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((((5(2ANILINO2OXOETHYL)4ETHYL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL2((2((5(2ANILINO2OXOETHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04392620
ZINC000002853430
ZINC02853430
ZINC2853430
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