Vitas-M small molecule compound

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

Catalog ID
STK172671
SMILES COc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)c(C)cc(c2)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 C24H21N3O3S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3S/c1-14-10-15(2)21-20(11-14)26-23(30-21)17-7-4-8-18(12-17)25-24(31)27-22(28)16-6-5-9-19(13-16)29-3/h4-13H,1-3H3,(H2,25,27,28,31)
InChIKey
JUAKJLJSFKYUQK-UHFFFAOYSA-N
Synonyms

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC)C
InChI=1SC24H21N3O3Sc1141015(2)2120(1114)2623(3021)1774818(1217)2524(31)2722(28)1665919(1316)293h413H13H3(H225272831)
MFCD02918585
N((3(57DIMETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3METHOXYBENZAMIDE
ZINC000001171336
ZINC01171336
ZINC1171336

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Available files

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