Vitas-M small molecule compound
propyl 2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421839
SMILES CCCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCC2
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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 C21H21ClFNO3S MW 421.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFNO3S/c1-2-12-27-21(26)19-14-6-3-4-9-17(14)28-20(19)24-18(25)11-10-13-15(22)7-5-8-16(13)23/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,24,25)/b11-10+InChIKey
QAJTVFBAJYIDNA-ZHACJKMWSA-NSynonyms
353783-94-5353783945
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=C(C=CC=C3Cl)F
CCCOC(=O)c1c(NC(=O)C=Cc2c(F)cccc2Cl)sc2c1CCCC2
InChI=1SC21H21ClFNO3Sc12122721(26)1914634917(14)2820(19)2418(25)11101315(22)75816(13)23h5781011H246912H21H3(H2425)b1110+
MFCD01337002
propyl2(((2E)3(2chloro6fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propyl2(((E)3(2chloro6fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002729630
ZINC02729630
ZINC2729630
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