Vitas-M small molecule compound

N-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-propoxybenzamide

Catalog ID
STK172966
SMILES CCCOc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-3-11-31-18-6-4-5-16(13-18)23(30)29-25(33)28-20-14-17(8-9-19(20)26)24-27-21-12-15(2)7-10-22(21)32-24/h4-10,12-14H,3,11H2,1-2H3,(H2,28,29,30,33)
InChIKey
VVQMHSVGPDIQOY-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl
InChI=1SC25H22ClN3O3Sc1311311864516(1318)23(30)2925(33)28201417(8919(20)26)2427211215(2)71022(21)3224h4101214H311H212H3(H228293033)
MFCD02631490
N((2CHLORO5(5METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3PROPOXYBENZAMIDE
ZINC000002983801
ZINC02983801
ZINC2983801

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Available files

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