Vitas-M small molecule compound
2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK676602
SMILES Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
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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 C23H11Cl2N3O5S2 MW 544.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H11Cl2N3O5S2/c24-11-4-6-13(15(25)8-11)18(29)10-34-23-26-16-7-5-12(9-19(16)35-23)27-21(30)14-2-1-3-17(28(32)33)20(14)22(27)31/h1-9H,10H2InChIKey
FHTVBWNERVFDRY-UHFFFAOYSA-NSynonyms
2(2((2(24dichlorophenyl)2oxoethyl)sulfanyl)13benzothiazol6yl)4nitro1Hisoindole13(2H)dione
2(2(2(24DICHLOROPHENYL)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)4NITROISOINDOLE13DIONE
C1=CC2=C(C(=C1)(N+)(=O)(O))C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)C5=C(C=C(C=C5)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC23H11Cl2N3O5S2c24114613(15(25)811)18(29)10342326167512(919(16)3523)2721(30)1421317(28(32)33)20(14)22(27)31h19H10H2
MFCD02110799
ZINC000003671614
ZINC3671614
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