Vitas-M small molecule compound

(2E)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-3-(2-nitrophenyl)prop-2-enamide

Catalog ID
STK110226
SMILES O=C(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)/C=C/c1ccccc1[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 C17H13N3O5S2 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S2/c1-27(24,25)12-7-8-13-15(10-12)26-17(18-13)19-16(21)9-6-11-4-2-3-5-14(11)20(22)23/h2-10H,1H3,(H,18,19,21)/b9-6+
InChIKey
MPIHACPXYYCICD-RMKNXTFCSA-N
Synonyms
600123-89-5
(2E)N(6(METHYLSULFONYL)13BENZOTHIAZOL2YL)3(2NITROPHENYL)PROP2ENAMIDE
(2E)N(6(METHYLSULFONYL)BENZOTHIAZOL2YL)3(2NITROPHENYL)PROP2ENAMIDE
(E)N(6METHYLSULFONYL13BENZOTHIAZOL2YL)3(2NITROPHENYL)PROP2ENAMIDE
600123895
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H13N3O5S2c127(2425)12781315(1012)2617(1813)1916(21)9611423514(11)20(22)23h210H1H3(H181921)b96+
MFCD03639033
O=C(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)C=Cc1ccccc1(N+)(=O)(O)
ZINC000002828981
ZINC02828981
ZINC2828981

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Available files

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