Vitas-M small molecule compound

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

Catalog ID
STK061027
SMILES COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1C)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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-14-5-8-18(15(2)11-14)24-27-19-13-17(7-10-20(19)32-24)26-25(33)28-23(29)16-6-9-21(30-3)22(12-16)31-4/h5-13H,1-4H3,(H2,26,28,29,33)
InChIKey
BKBHYCNGDZCAQB-UHFFFAOYSA-N
Synonyms
335213-68-8
(34DIMETHOXYPHENYL)N(((2(24DIMETHYLPHENYL)BENZOXAZOL5YL)AMINO)THIOXOMETHYL)CARBOXAMIDE
1(34DIMETHOXYBENZOYL)3(2(24DIMETHYLPHENYL)BENZOOXAZOL5YL)THIOUREA
335213688
CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)C
COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1C)C
InChI=1SC25H23N3O4Sc1145818(15(2)1114)2427191317(71020(19)3224)2625(33)2823(29)166921(303)22(1216)314h513H14H3(H226282933)
MFCD02577944
N((2(24DIMETHYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)34DIMETHOXYBENZAMIDE
N((2(24dimethylphenyl)benzo(d)oxazol5yl)carbamothioyl)34dimethoxybenzamide
N(34DIMETHOXYBENZOYL)N(2(24DIMETHYLPHENYL)13BENZOXAZOL5YL)THIOUREA
STK061027
ZINC000000881512
ZINC00881512
ZINC881512

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Available files

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