Vitas-M small molecule compound
methyl 2-{[(4-chloro-2-methylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK075497
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)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/c1-12-10-13(21)8-9-15(12)26-11-17(23)22-19-18(20(24)25-2)14-6-4-3-5-7-16(14)27-19/h8-10H,3-7,11H2,1-2H3,(H,22,23)InChIKey
JIHYUULZXWQSFU-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC
COC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)sc2c1CCCCC2
InChI=1SC20H22ClNO4Sc1121013(21)8915(12)261117(23)221918(20(24)252)146435716(14)2719h810H3711H212H3(H2223)
methyl2(((4chloro2methylphenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(4chloro2methylphenoxy)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01972876
STK075497
ZINC000000879606
ZINC00879606
ZINC879606
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