Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK419555
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2)C
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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 C22H23Cl2NO3S MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO3S/c1-13(2)28-22(27)20-15-7-4-3-5-10-18(15)29-21(20)25-19(26)12-11-14-16(23)8-6-9-17(14)24/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,25,26)/b12-11+InChIKey
ZURKFFAXAOEDLV-VAWYXSNFSA-NSynonyms
544458-30-2544458302
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=C(C=CC=C3Cl)Cl
CC(OC(=O)c1c(NC(=O)C=Cc2c(Cl)cccc2Cl)sc2c1CCCCC2)C
InChI=1SC22H23Cl2NO3Sc113(2)2822(27)201574351018(15)2921(20)2519(26)12111416(23)86917(14)24h6891113H35710H212H3(H2526)b1211+
MFCD03379693
propan2yl2(((2E)3(26dichlorophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(((E)3(26dichlorophenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002115168
ZINC02115168
ZINC2115168
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