Vitas-M small molecule compound

3-(2,1,3-benzothiadiazol-4-ylcarbamoyl)pyrazine-2-carboxylic acid

Catalog ID
STK653455
SMILES O=C(c1nccnc1C(=O)O)Nc1cccc2c1nsn2

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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 C12H7N5O3S MW 301.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7N5O3S/c18-11(9-10(12(19)20)14-5-4-13-9)15-6-2-1-3-7-8(6)17-21-16-7/h1-5H,(H,15,18)(H,19,20)
InChIKey
PRSAQDRQSQRRAQ-UHFFFAOYSA-N
Synonyms
1144485-33-5
1144485335
3(213benzothiadiazol4ylcarbamoyl)pyrazine2carboxylicacid
3(benzo(c)(125)thiadiazol4ylcarbamoyl)pyrazine2carboxylicacid
C1=CC2=NSN=C2C(=C1)NC(=O)C3=NC=CN=C3C(=O)O
InChI=1SC12H7N5O3Sc1811(910(12(19)20)1454139)15621378(6)1721167h15H(H1518)(H1920)
MFCD12211030
ZINC000031812554
ZINC31812554

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Available files

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