Vitas-M small molecule compound

1-(1,1-dioxido-1,2-benzothiazol-3-yl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol

Catalog ID
STK391534
SMILES CC1=NN(C(C1)(C)O)C1=NS(=O)(=O)c2c1cccc2

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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 C12H13N3O3S MW 279.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O3S/c1-8-7-12(2,16)15(13-8)11-9-5-3-4-6-10(9)19(17,18)14-11/h3-6,16H,7H2,1-2H3
InChIKey
ZVEBVESPYPIVBD-UHFFFAOYSA-N
Synonyms

1(11DIOXIDO12BENZISOTHIAZOL3YL)35DIMETHYL45DIHYDRO1HPYRAZOL5OL
1(11dioxido12benzothiazol3yl)35dimethyl45dihydro1Hpyrazol5ol
2(11DIOXO12BENZOTHIAZOL3YL)35DIMETHYL4HPYRAZOL3OL
3(5HYDROXY35DIMETHYL2PYRAZOLINYL)BENZO(D)12THIAZOLE11DIONE
CC1=NN(C(C1)(C)O)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC12H13N3O3Sc18712(216)15(138)119534610(9)19(1718)1411h3616H7H212H3
MFCD00688888
ZINC000000210681
ZINC000000210684

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Available files

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