Vitas-M small molecule compound
2-bromo-4-[5-({[(2-chlorophenyl)carbonyl]carbamothioyl}amino)-1,3-benzoxazol-2-yl]phenyl 2-chlorobenzoate
Catalog ID
STK358549
SMILES S=C(NC(=O)c1ccccc1Cl)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)OC(=O)c1ccccc1Cl
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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 C28H16BrCl2N3O4S MW 641.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H16BrCl2N3O4S/c29-19-13-15(9-11-23(19)38-27(36)18-6-2-4-8-21(18)31)26-33-22-14-16(10-12-24(22)37-26)32-28(39)34-25(35)17-5-1-3-7-20(17)30/h1-14H,(H2,32,34,35,39)InChIKey
INKDSHQDUSDMID-UHFFFAOYSA-NSynonyms
(2BROMO4(5((2CHLOROBENZOYL)CARBAMOTHIOYLAMINO)13BENZOXAZOL2YL)PHENYL)2CHLOROBENZOATE
2BROMO4(5((((2CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)13BENZOXAZOL2YL)PHENYL2CHLOROBENZOATE
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5Cl)Br)Cl
InChI=1SC28H16BrCl2N3O4Sc29191315(91123(19)3827(36)18624821(18)31)2633221416(101224(22)3726)3228(39)3425(35)17513720(17)30h114H(H232343539)
MFCD03909516
ZINC000097949080
ZINC97949080
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