Vitas-M small molecule compound

N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxynaphthalene-2-carboxamide

Catalog ID
STK173256
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(c2)CC

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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 C28H23N3O3S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3S/c1-3-17-11-12-24-23(13-17)30-27(34-24)20-9-6-10-21(14-20)29-28(35)31-26(32)22-15-18-7-4-5-8-19(18)16-25(22)33-2/h4-16H,3H2,1-2H3,(H2,29,31,32,35)
InChIKey
XFHLBYOIOXKCIQ-UHFFFAOYSA-N
Synonyms

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC
InChI=1SC28H23N3O3Sc131711122423(1317)3027(3424)20961021(1420)2928(35)3126(32)221518745819(18)1625(22)332h416H3H212H3(H229313235)
MFCD02922621
N((3(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3METHOXYNAPHTHALENE2CARBOXAMIDE
ZINC000002831824
ZINC02831824
ZINC2831824

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Available files

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