Vitas-M small molecule compound

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

Catalog ID
STK066772
SMILES COc1cc(ccc1OC)C(=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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-4-15-8-10-20-19(12-15)27-24(32-20)17-6-5-7-18(13-17)26-25(33)28-23(29)16-9-11-21(30-2)22(14-16)31-3/h5-14H,4H2,1-3H3,(H2,26,28,29,33)
InChIKey
NFIRNOQNNLGSSL-UHFFFAOYSA-N
Synonyms
335213-87-1
1(34DIMETHOXYBENZOYL)3(3(5ETHYLBENZOOXAZOL2YL)PHENYL)THIOUREA
335213871
CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(c2)CC
InChI=1SC25H23N3O4Sc14158102019(1215)2724(3220)1765718(1317)2625(33)2823(29)1691121(302)22(1416)313h514H4H213H3(H226282933)
MFCD02577961
N((3(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)34DIMETHOXYBENZAMIDE
N((3(5ethylbenzo(d)oxazol2yl)phenyl)carbamothioyl)34dimethoxybenzamide
N(34DIMETHOXYBENZOYL)N(3(5ETHYL13BENZOXAZOL2YL)PHENYL)THIOUREA
STK066772
ZINC000000881552
ZINC00881552
ZINC881552

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Available files

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