Vitas-M small molecule compound

2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate

Catalog ID
STK137671
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccccc1NC1=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 C20H13N3O6S MW 423.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O6S/c24-20(13-6-5-7-14(12-13)23(25)26)29-17-10-3-2-9-16(17)21-19-15-8-1-4-11-18(15)30(27,28)22-19/h1-12H,(H,21,22)
InChIKey
TYZDBNFWBFPYEJ-UHFFFAOYSA-N
Synonyms

(2((11DIOXO12BENZOTHIAZOL3YL)AMINO)PHENYL)3NITROBENZOATE
2((11DIOXIDO12BENZISOTHIAZOL3YL)AMINO)PHENYL3NITROBENZOATE
2((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)PHENYL3NITROBENZOATE
C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=CC=C3OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H13N3O6Sc2420(1365714(1213)23(25)26)29171032916(17)2119158141118(15)30(2728)2219h112H(H2122)
MFCD02951090
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccccc1NC1=NS(=O)(=O)c2c1cccc2
ZINC000000666724
ZINC00666724
ZINC666724

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Available files

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