Vitas-M small molecule compound
N,N-dicyclohexyl-2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK130958
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)N(C1CCCCC1)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 C27H36N4O3S MW 496.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O3S/c1-3-30-26(23-17-19-11-10-16-22(33-2)25(19)34-23)28-29-27(30)35-18-24(32)31(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h10-11,16-17,20-21H,3-9,12-15,18H2,1-2H3InChIKey
ZCTOEODSXPUJAU-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC5=C(O4)C(=CC=C5)OC
InChI=1SC27H36N4O3Sc133026(23171911101622(332)25(19)3423)282927(30)351824(32)31(20126471320)21148591521h101116172021H39121518H212H3
MFCD04389101
NNDICYCLOHEXYL2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
NNDICYCLOHEXYL2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009261313
ZINC09261313
ZINC9261313
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