Vitas-M small molecule compound
methyl 3-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK082525
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)ccc(c2)S(=O)(=O)C
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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 C17H13N3O7S2 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O7S2/c1-27-16(22)10-5-9(6-11(7-10)20(23)24)15(21)19-17-18-13-4-3-12(29(2,25)26)8-14(13)28-17/h3-8H,1-2H3,(H,18,19,21)InChIKey
WSXDQAFDIHYFAY-UHFFFAOYSA-NSynonyms
349439-97-0COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1sc2c(n1)ccc(c2)S(=O)(=O)C
InChI=1SC17H13N3O7S2c12716(22)1059(611(710)20(23)24)15(21)191718134312(29(225)26)814(13)2817h38H12H3(H181921)
METHYL3(((2Z)6(METHYLSULFONYL)13BENZOTHIAZOL2(3H)YLIDENE)CARBAMOYL)5NITROBENZOATE
METHYL3((6(METHYLSULFONYL)13BENZOTHIAZOL2YL)CARBAMOYL)5NITROBENZOATE
methyl3((6(methylsulfonyl)benzo(d)thiazol2yl)carbamoyl)5nitrobenzoate
METHYL3((6METHYLSULFONYL13BENZOTHIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(6(METHYLSULFONYL)BENZOTHIAZOL2YL)CARBAMOYL)3NITROBENZOATE
MFCD02862228
STK082525
ZINC000009088499
ZINC09088499
ZINC9088499
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.