Vitas-M small molecule compound

(2E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

Catalog ID
STL113323
SMILES COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)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 C18H18ClNO3 MW 331.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClNO3/c1-12-4-7-14(19)11-15(12)20-18(21)9-6-13-5-8-16(22-2)17(10-13)23-3/h4-11H,1-3H3,(H,20,21)/b9-6+
InChIKey
XVACDDWMBIBBSY-RMKNXTFCSA-N
Synonyms

(2E)N(5chloro2methylphenyl)3(34dimethoxyphenyl)prop2enamide
(E)N(5CHLORO2METHYLPHENYL)3(34DIMETHOXYPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)Cl)NC(=O)C=CC2=CC(=C(C=C2)OC)OC
COc1cc(C=CC(=O)Nc2cc(Cl)ccc2C)ccc1OC
InChI=1SC18H18ClNO3c1124714(19)1115(12)2018(21)96135816(222)17(1013)233h411H13H3(H2021)b96+
MFCD01187522
ZINC000000454515
ZINC00454515
ZINC454515

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Available files

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