Vitas-M small molecule compound

N-{[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide

Catalog ID
STK163841
SMILES COc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)c1nc2c(o1)c(Cl)cc(c2)Cl

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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 C22H15Cl2N3O3S MW 472.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3O3S/c1-29-16-4-2-3-13(9-16)20(28)27-22(31)25-15-7-5-12(6-8-15)21-26-18-11-14(23)10-17(24)19(18)30-21/h2-11H,1H3,(H2,25,27,28,31)
InChIKey
DFRHEUXKBKXNCC-UHFFFAOYSA-N
Synonyms

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)Cl)Cl
InChI=1SC22H15Cl2N3O3Sc1291642313(916)20(28)2722(31)25157512(6815)2126181114(23)1017(24)19(18)3021h211H1H3(H225272831)
MFCD03136373
N((4(57DICHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3METHOXYBENZAMIDE
ZINC000002986872
ZINC02986872
ZINC2986872

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Available files

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