Vitas-M small molecule compound
N-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-chloro-4-ethoxybenzamide
Catalog ID
STK390654
SMILES CCOc1ccc(cc1Cl)C(=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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-5-33-22-12-8-17(14-20(22)28)24(32)31-26(35)29-19-11-13-23-21(15-19)30-25(34-23)16-6-9-18(10-7-16)27(2,3)4/h6-15H,5H2,1-4H3,(H2,29,31,32,35)InChIKey
NIBHSPCTBXZDQK-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C)Cl
InChI=1SC27H26ClN3O3Sc15332212817(1420(22)28)24(32)3126(35)291911132321(1519)3025(3423)166918(10716)27(23)4h615H5H214H3(H229313235)
MFCD02820812
N(((2(4(TERTBUTYL)PHENYL)BENZOXAZOL5YL)AMINO)THIOXOMETHYL)(3CHLORO4ETHOXYPHENYL)CARBOXAMIDE
N((2(4tertbutylphenyl)13benzoxazol5yl)carbamothioyl)3chloro4ethoxybenzamide
ZINC000004089596
ZINC04089596
ZINC4089596
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