Vitas-M small molecule compound
N-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK234311
SMILES S=C(NC(=O)c1ccc2c(c1)OCCO2)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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-27(2,3)18-7-4-16(5-8-18)25-29-20-15-19(9-11-21(20)34-25)28-26(35)30-24(31)17-6-10-22-23(14-17)33-13-12-32-22/h4-11,14-15H,12-13H2,1-3H3,(H2,28,30,31,35)InChIKey
ALFRLEOUXZLICW-UHFFFAOYSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC27H25N3O4Sc127(23)187416(5818)2529201519(91121(20)3425)2826(35)3024(31)176102223(1417)3313123222h4111415H1213H213H3(H228303135)
MFCD03783929
N((2(4tertbutylphenyl)13benzoxazol5yl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N(2(4TERTBUTYLPHENYL)13BENZOXAZOL5YL)N(23DIHYDRO14BENZODIOXIN6YLCARBONYL)THIOUREA
ZINC000008386113
ZINC08386113
ZINC8386113
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