Vitas-M small molecule compound

2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid

Catalog ID
STK366213
SMILES CCCCCCCCCCCCCCCCCC1=Nn2c(C1S(=O)(=O)O)nc1c2ccc(c1)C(=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 C27H41N3O5S MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(36(33,34)35)26-28-23-20-21(27(31)32)18-19-24(23)30(26)29-22/h18-20,25H,2-17H2,1H3,(H,31,32)(H,33,34,35)
InChIKey
ROBQHBPXOIYPMS-UHFFFAOYSA-N
Synonyms

2HEPTADECYL3SULFO2PYRAZOLINO(15A)BENZIMIDAZOLE6CARBOXYLICACID
2heptadecyl3sulfo3Hpyrazolo(15a)benzimidazole6carboxylicacid
CCCCCCCCCCCCCCCCCC1=NN2C3=C(C=C(C=C3)C(=O)O)N=C2C1S(=O)(=O)O
InChI=1SC27H41N3O5Sc12345678910111213141516172225(36(3334)35)2628232021(27(31)32)181924(23)30(26)2922h182025H217H21H3(H3132)(H333435)
MFCD00317328
ZINC000098050349
ZINC000098050350

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Available files

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