Vitas-M small molecule compound

N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide

Catalog ID
STK163972
SMILES S=C(NC(=O)c1cc2c(o1)cccc2)Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)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 C24H16ClN3O3S MW 461.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClN3O3S/c1-13-6-9-18-20(10-13)31-23(27-18)16-12-15(7-8-17(16)25)26-24(32)28-22(29)21-11-14-4-2-3-5-19(14)30-21/h2-12H,1H3,(H2,26,28,29,32)
InChIKey
PKISQQHRQMMORQ-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)Cl
InChI=1SC24H16ClN3O3Sc113691820(1013)3123(2718)161215(7817(16)25)2624(32)2822(29)211114423519(14)3021h212H1H3(H226282932)
MFCD03137057
N((4CHLORO3(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)1BENZOFURAN2CARBOXAMIDE
ZINC000001176400
ZINC01176400
ZINC1176400

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Available files

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