Vitas-M small molecule compound
(2E)-N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Catalog ID
STL118230
SMILES COc1ccc(cc1OC)/C=C/C(=O)NCCSCc1c(F)cccc1Cl
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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 C20H21ClFNO3S MW 409.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFNO3S/c1-25-18-8-6-14(12-19(18)26-2)7-9-20(24)23-10-11-27-13-15-16(21)4-3-5-17(15)22/h3-9,12H,10-11,13H2,1-2H3,(H,23,24)/b9-7+InChIKey
NXOLEQDYWHGCQF-VQHVLOKHSA-NSynonyms
(2E)N(2((2chloro6fluorobenzyl)sulfanyl)ethyl)3(34dimethoxyphenyl)prop2enamide
(E)N(2((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)ETHYL)3(34DIMETHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=CC(=O)NCCSCC2=C(C=CC=C2Cl)F)OC
COc1ccc(cc1OC)C=CC(=O)NCCSCc1c(F)cccc1Cl
InChI=1SC20H21ClFNO3Sc125188614(1219(18)262)7920(24)23101127131516(21)43517(15)22h3912H101113H212H3(H2324)b97+
MFCD03560485
ZINC000002813185
ZINC02813185
ZINC2813185
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