Vitas-M small molecule compound
5-chloro-N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methoxybenzamide
Catalog ID
STK173155
SMILES COc1ccc(cc1C(=O)NC(=S)Nc1cccc(c1C)c1nc2c(o1)c(C)cc(c2)C)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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-13-10-14(2)22-20(11-13)27-24(32-22)17-6-5-7-19(15(17)3)28-25(33)29-23(30)18-12-16(26)8-9-21(18)31-4/h5-12H,1-4H3,(H2,28,29,30,33)InChIKey
DDBJHVYTOXFUOL-UHFFFAOYSA-NSynonyms
5CHLORON((3(57DIMETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC)C)C
InChI=1SC25H22ClN3O3Sc1131014(2)2220(1113)2724(3222)1765719(15(17)3)2825(33)2923(30)181216(26)8921(18)314h512H14H3(H228293033)
MFCD02920524
ZINC000002994844
ZINC02994844
ZINC2994844
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