Vitas-M small molecule compound
4-butoxy-N-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK031537
SMILES CCCCOc1ccc(cc1)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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-5-6-17-34-23-14-9-19(10-15-23)26(33)32-28(36)30-22-13-16-25-24(18-22)31-27(35-25)20-7-11-21(12-8-20)29(2,3)4/h7-16,18H,5-6,17H2,1-4H3,(H2,30,32,33,36)InChIKey
DHAXOXHZBOBOOO-UHFFFAOYSA-NSynonyms
4BUTOXYN((2(4TERTBUTYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C
CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N3O3Sc15617342314919(101523)26(33)3228(36)302213162524(1822)3127(3525)2071121(12820)29(23)4h71618H5617H214H3(H230323336)
MFCD02626862
STK031537
ZINC000009113789
ZINC09113789
ZINC9113789
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