Vitas-M small molecule compound
[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetic acid
Catalog ID
STK599226
SMILES OC(=O)CSc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)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 C23H21N3O2S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S/c1-15-19(13-17-9-5-3-6-10-17)23(29-14-20(27)28)26-22(24-15)21(16(2)25-26)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,27,28)InChIKey
AMVIRPIPBQEUSY-UHFFFAOYSA-NSynonyms
877788-49-3((6benzyl25dimethyl3phenylpyrazolo(15a)pyrimidin7yl)sulfanyl)aceticacid
2((6benzyl25dimethyl3phenylpyrazolo(15a)pyrimidin7yl)thio)aceticacid
2(6BENZYL25DIMETHYL3PHENYLPYRAZOLO(15A)PYRIMIDIN7YL)SULFANYLACETICACID
877788493
CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SCC(=O)O)C)C4=CC=CC=C4
InChI=1SC23H21N3O2Sc11519(131795361017)23(291420(27)28)2622(2415)21(16(2)2526)18117481218h312H1314H212H3(H2728)
MFCD05701702
ZINC000005562482
ZINC5562482
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