Vitas-M small molecule compound
3-chloro-N-{[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Catalog ID
STK032831
SMILES S=C(Nc1cc(ccc1C)c1oc2c(n1)cc(c(c2)C)C)NC(=O)c1cccc(c1)Cl
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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 C24H20ClN3O2S MW 449.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O2S/c1-13-7-8-17(23-26-20-9-14(2)15(3)10-21(20)30-23)12-19(13)27-24(31)28-22(29)16-5-4-6-18(25)11-16/h4-12H,1-3H3,(H2,27,28,29,31)InChIKey
RTOHMXYLAJHQFI-UHFFFAOYSA-NSynonyms
3CHLORON((5(56DIMETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=S)NC(=O)C4=CC(=CC=C4)Cl
InChI=1SC24H20ClN3O2Sc1137817(232620914(2)15(3)1021(20)3023)1219(13)2724(31)2822(29)1654618(25)1116h412H13H3(H227282931)
MFCD02628613
S=C(Nc1cc(ccc1C)c1oc2c(n1)cc(c(c2)C)C)NC(=O)c1cccc(c1)Cl
STK032831
ZINC000002982194
ZINC02982194
ZINC2982194
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