Vitas-M small molecule compound
2-{[2-(4-chlorophenoxy)propanoyl]amino}-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK081759
SMILES CCOc1ccccc1NC(=O)c1c(NC(=O)C(Oc2ccc(cc2)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 C27H29ClN2O4S MW 513.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O4S/c1-3-33-22-11-8-7-10-21(22)29-26(32)24-20-9-5-4-6-12-23(20)35-27(24)30-25(31)17(2)34-19-15-13-18(28)14-16-19/h7-8,10-11,13-17H,3-6,9,12H2,1-2H3,(H,29,32)(H,30,31)InChIKey
IOKBUWMILZWYPT-UHFFFAOYSA-NSynonyms
2((2(4chlorophenoxy)propanoyl)amino)N(2ethoxyphenyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2(2(4chlorophenoxy)propanoylamino)N(2ethoxyphenyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C(C)OC4=CC=C(C=C4)Cl
CCOc1ccccc1NC(=O)c1c(NC(=O)C(Oc2ccc(cc2)Cl)C)sc2c1CCCCC2
InChI=1SC27H29ClN2O4Sc13332211871021(22)2926(32)242095461223(20)3527(24)3025(31)17(2)3419151318(28)141619h7810111317H36912H212H3(H2932)(H3031)
MFCD01825491
STK081759
ZINC000008589776
ZINC000008589777
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