Vitas-M small molecule compound

2-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Catalog ID
STK926922
SMILES Clc1ccc2c(c1)c1cc(Cl)ccc1n2CC(CN1C(=O)c2c(S1(=O)=O)cccc2)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 C22H16Cl2N2O4S MW 475.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N2O4S/c23-13-5-7-19-17(9-13)18-10-14(24)6-8-20(18)25(19)11-15(27)12-26-22(28)16-3-1-2-4-21(16)31(26,29)30/h1-10,15,27H,11-12H2
InChIKey
WKGIOKRDMIIZNM-UHFFFAOYSA-N
Synonyms
304893-72-9
2(3(36dichloro9Hcarbazol9yl)2hydroxypropyl)12benzothiazol3(2H)one11dioxide
2(3(36dichloro9Hcarbazol9yl)2hydroxypropyl)benzo(d)isothiazol3(2H)one11dioxide
2(3(36DICHLOROCARBAZOL9YL)2HYDROXYPROPYL)11DIOXO12BENZOTHIAZOL3ONE
2(3(36DICHLOROCARBAZOL9YL)2HYDROXYPROPYL)2HYDROBENZO(D)ISOTHIAZOLE113TRIONE
304893729
C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(CN3C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)Cl)O
InChI=1SC22H16Cl2N2O4Sc2313571917(913)181014(24)6820(18)25(19)1115(27)122622(28)16312421(16)31(2629)30h1101527H1112H2
MFCD01027915
ZINC000001909575
ZINC000006142398

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.