Vitas-M small molecule compound

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

Catalog ID
STK180533
SMILES COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1ccccc1C

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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 C23H18ClN3O3S MW 451.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O3S/c1-13-5-3-4-6-16(13)21(28)27-23(31)25-15-8-10-20-18(12-15)26-22(30-20)14-7-9-19(29-2)17(24)11-14/h3-12H,1-2H3,(H2,25,27,28,31)
InChIKey
KFBXXGOGTYXMSZ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Cl
InChI=1SC23H18ClN3O3Sc113534616(13)21(28)2723(31)25158102018(1215)2622(3020)147919(292)17(24)1114h312H12H3(H225272831)
MFCD02811192
N((2(3CHLORO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2METHYLBENZAMIDE
ZINC000002978438
ZINC02978438
ZINC2978438

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Available files

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