Vitas-M small molecule compound
methyl 2-{[({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK743774
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1Cn1nnc(n1)c1ccccc1
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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 C22H22N8O3S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O3S/c1-3-29-18(13-30-27-20(25-28-30)15-9-5-4-6-10-15)24-26-22(29)34-14-19(31)23-17-12-8-7-11-16(17)21(32)33-2/h4-12H,3,13-14H2,1-2H3,(H,23,31)InChIKey
WMJUHRXAAINVJX-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CN3N=C(N=N3)C4=CC=CC=C4
InChI=1SC22H22N8O3Sc132918(13302720(252830)1595461015)242622(29)341419(31)231712871116(17)21(32)332h412H31314H212H3(H2331)
methyl2((((4ethyl5((5phenyl2Htetrazol2yl)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((4ETHYL5((5PHENYLTETRAZOL2YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05855531
ZINC000003612408
ZINC03612408
ZINC3612408
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