Vitas-M small molecule compound

N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide

Catalog ID
STK180602
SMILES COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1F

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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 C22H15ClFN3O3S MW 455.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClFN3O3S/c1-29-18-8-6-12(10-15(18)23)21-26-17-11-13(7-9-19(17)30-21)25-22(31)27-20(28)14-4-2-3-5-16(14)24/h2-11H,1H3,(H2,25,27,28,31)
InChIKey
VYQMOFLYHDDQHO-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4F)Cl
InChI=1SC22H15ClFN3O3Sc129188612(1015(18)23)2126171113(7919(17)3021)2522(31)2720(28)14423516(14)24h211H1H3(H225272831)
MFCD03306926
N((2(3CHLORO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2FLUOROBENZAMIDE
ZINC000009892797
ZINC09892797
ZINC9892797

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.