Vitas-M small molecule compound

N-{[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-methoxybenzamide

Catalog ID
STK051409
SMILES CCc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OC)C

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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-4-16-6-12-22-21(13-16)26-24(31-22)18-7-5-15(2)20(14-18)27-25(32)28-23(29)17-8-10-19(30-3)11-9-17/h5-14H,4H2,1-3H3,(H2,27,28,29,32)
InChIKey
WODUUAOKTICWJF-UHFFFAOYSA-N
Synonyms

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)OC
CCc1ccc2c(c1)nc(o2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OC)C
InChI=1SC25H23N3O3Sc14166122221(1316)2624(3122)187515(2)20(1418)2725(32)2823(29)1781019(303)11917h514H4H213H3(H227282932)
MFCD02625273
N((5(5ETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)4METHOXYBENZAMIDE
STK051409
ZINC000001413879
ZINC01413879
ZINC1413879

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Available files

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