Vitas-M small molecule compound
5-bromo-N-({4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)-2-chlorobenzamide
Catalog ID
STK209493
SMILES CCC(c1ccc2c(c1)nc(o2)c1ccc(cc1)NC(=S)NC(=O)c1cc(Br)ccc1Cl)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 C25H21BrClN3O2S MW 542.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClN3O2S/c1-3-14(2)16-6-11-22-21(12-16)29-24(32-22)15-4-8-18(9-5-15)28-25(33)30-23(31)19-13-17(26)7-10-20(19)27/h4-14H,3H2,1-2H3,(H2,28,30,31,33)InChIKey
WYPBIUKQLHXGMQ-UHFFFAOYSA-NSynonyms
5BROMON((4(5(BUTAN2YL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)2CHLOROBENZAMIDE
5BROMON((4(5BUTAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)2CHLOROBENZAMIDE
CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl
InChI=1SC25H21BrClN3O2Sc1314(2)166112221(1216)2924(3222)154818(9515)2825(33)3023(31)191317(26)71020(19)27h414H3H212H3(H228303133)
MFCD03564911
ZINC000100315553
ZINC000100315555
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