Vitas-M small molecule compound
methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK762846
SMILES CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)OC)CCCCC2
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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 C17H20F6N2O4S MW 462.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27)InChIKey
IDKJMWZFPMNLBO-UHFFFAOYSA-NSynonyms
299922-98-8299922988
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C(=O)OC
InChI=1SC17H20F6N2O4Sc132914(27)2515(16(1819)2017(2122)23)241211(13(26)282)97546810(9)3012h24H38H212H3(H2527)
methyl2((2((ethoxycarbonyl)amino)111333hexafluoropropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(ethoxycarbonylamino)111333hexafluoropropan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01945956
ZINC000003671513
ZINC03671513
ZINC3671513
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