Vitas-M small molecule compound
4-[(4-chlorobenzyl)oxy]-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide
Catalog ID
STK209059
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)NC(=S)Nc1cccc(c1)c1nc2c(o1)ccc(c2)CC
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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 C31H26ClN3O4S MW 572.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O4S/c1-3-19-9-13-26-25(15-19)34-30(39-26)22-5-4-6-24(16-22)33-31(40)35-29(36)21-10-14-27(28(17-21)37-2)38-18-20-7-11-23(32)12-8-20/h4-17H,3,18H2,1-2H3,(H2,33,35,36,40)InChIKey
XXRXMDQHZJTJAO-UHFFFAOYSA-NSynonyms
4((4CHLOROBENZYL)OXY)N((3(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3METHOXYBENZAMIDE
4((4CHLOROPHENYL)METHOXY)N((3(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3METHOXYBENZAMIDE
CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC
InChI=1SC31H26ClN3O4Sc13199132625(1519)3430(3926)2254624(1622)3331(40)3529(36)21101427(28(1721)372)38182071123(32)12820h417H318H212H3(H233353640)
MFCD03909540
ZINC000006284333
ZINC6284333
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