Vitas-M small molecule compound

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-{2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide (non-preferred name)

Catalog ID
STL086377
SMILES O=C(CN(S(=O)(=O)c1ccccc1)c1ccc(c(c1)C(F)(F)F)Cl)N/N=C/c1cccc2c1OCCO2

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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 C24H19ClF3N3O5S MW 553.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClF3N3O5S/c25-20-10-9-17(13-19(20)24(26,27)28)31(37(33,34)18-6-2-1-3-7-18)15-22(32)30-29-14-16-5-4-8-21-23(16)36-12-11-35-21/h1-10,13-14H,11-12,15H2,(H,30,32)/b29-14+
InChIKey
MRECZZVLPOUDSN-IPPBACCNSA-N
Synonyms

2(N(BENZENESULFONYL)4CHLORO3(TRIFLUOROMETHYL)ANILINO)N((E)23DIHYDRO14BENZODIOXIN5YLMETHYLIDENEAMINO)ACETAMIDE
C1COC2=C(C=CC=C2O1)C=NNC(=O)CN(C3=CC(=C(C=C3)Cl)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4
InChI=1SC24H19ClF3N3O5Sc252010917(1319(20)24(2627)28)31(37(3334)186213718)1522(32)302914165482123(16)3612113521h1101314H111215H2(H3032)b2914+
MFCD02071700
N(4chloro3(trifluoromethyl)phenyl)N(2((2E)2(23dihydro14benzodioxin5ylmethylidene)hydrazinyl)2oxoethyl)benzenesulfonamide(nonpreferredname)
N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)N(2(2(23DIHYDRO14BENZODIOXIN5YLMETHYLENE)HYDRAZINO)2OXOETHYL)BENZENESULFONAMIDE
O=C(CN(S(=O)(=O)c1ccccc1)c1ccc(c(c1)C(F)(F)F)Cl)NN=Cc1cccc2c1OCCO2
ZINC000002172040
ZINC70459589

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Available files

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