Vitas-M small molecule compound
(2E)-N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Catalog ID
STK742693
SMILES COc1cc(/C=C/C(=O)NCCSCc2ccc(cc2)Cl)ccc1OC
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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 C20H22ClNO3S MW 391.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO3S/c1-24-18-9-5-15(13-19(18)25-2)6-10-20(23)22-11-12-26-14-16-3-7-17(21)8-4-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)/b10-6+InChIKey
OCTWCUMBGKYCAO-UXBLZVDNSA-NSynonyms
(2E)N(2((4chlorobenzyl)sulfanyl)ethyl)3(34dimethoxyphenyl)prop2enamide
(E)N(2((4CHLOROPHENYL)METHYLSULFANYL)ETHYL)3(34DIMETHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=CC(=O)NCCSCC2=CC=C(C=C2)Cl)OC
COc1cc(C=CC(=O)NCCSCc2ccc(cc2)Cl)ccc1OC
InChI=1SC20H22ClNO3Sc124189515(1319(18)252)61020(23)2211122614163717(21)8416h31013H111214H212H3(H2223)b106+
MFCD01187530
ZINC000002948014
ZINC02948014
ZINC2948014
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