Vitas-M small molecule compound
methyl 2-{[2-(3-chlorophenoxy)propanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK441713
SMILES COC(=O)c1c(NC(=O)C(Oc2cccc(c2)Cl)C)sc2c1CCCCC2
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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 C20H22ClNO4S MW 407.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO4S/c1-12(26-14-8-6-7-13(21)11-14)18(23)22-19-17(20(24)25-2)15-9-4-3-5-10-16(15)27-19/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,22,23)InChIKey
FKRKKBXLMWKPQH-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC)OC3=CC(=CC=C3)Cl
InChI=1SC20H22ClNO4Sc112(261486713(21)1114)18(23)221917(20(24)252)1594351016(15)2719h681112H35910H212H3(H2223)
methyl2((2(3chlorophenoxy)propanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2(3chlorophenoxy)propanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03376758
ZINC000002752496
ZINC000002752497
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