Vitas-M small molecule compound

N-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methoxy-3-methylbenzamide

Catalog ID
STK045374
SMILES COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C(C)(C)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-16-7-6-8-20(23(16)32-5)24(31)30-26(34)28-19-13-14-22-21(15-19)29-25(33-22)17-9-11-18(12-10-17)27(2,3)4/h6-15H,1-5H3,(H2,28,30,31,34)
InChIKey
UPYJDVCMFFQFLB-UHFFFAOYSA-N
Synonyms
637303-47-0
637303470
CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C(C)(C)C
InChI=1SC27H27N3O3Sc11676820(23(16)325)24(31)3026(34)281913142221(1519)2925(3322)1791118(121017)27(23)4h615H15H3(H228303134)
MFCD03683669
N((2(4(tertbutyl)phenyl)benzo(d)oxazol5yl)carbamothioyl)2methoxy3methylbenzamide
N((2(4TERTBUTYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2METHOXY3METHYLBENZAMIDE
STK045374
ZINC000002240553
ZINC02240553
ZINC2240553

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Available files

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