Vitas-M small molecule compound
3-fluoro-N-({2-methyl-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide
Catalog ID
STK183910
SMILES S=C(NC(=O)c1cccc(c1)F)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)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 C25H22FN3O2S MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O2S/c1-14(2)16-9-10-22-21(12-16)27-24(31-22)18-8-7-15(3)20(13-18)28-25(32)29-23(30)17-5-4-6-19(26)11-17/h4-14H,1-3H3,(H2,28,29,30,32)InChIKey
QYCLHQUXPLLVJA-UHFFFAOYSA-NSynonyms
3FLUORON((2METHYL5(5(PROPAN2YL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
3FLUORON((2METHYL5(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC(=CC=C4)F
InChI=1SC25H22FN3O2Sc114(2)169102221(1216)2724(3122)188715(3)20(1318)2825(32)2923(30)1754619(26)1117h414H13H3(H228293032)
MFCD06627551
ZINC000002879780
ZINC02879780
ZINC2879780
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