Vitas-M small molecule compound
2-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-benzothiazole-5,7-dicarboxylic acid
Catalog ID
STK367704
SMILES CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1nc2c(s1)c(cc(c2)C(=O)O)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 C29H41N3O5S MW 543.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-25(33)32(31-22)29-30-24-19-21(27(34)35)18-23(28(36)37)26(24)38-29/h18-19H,2-17,20H2,1H3,(H,34,35)(H,36,37)InChIKey
FJWDPUWRICSRMM-UHFFFAOYSA-NSynonyms
2(3HEPTADECYL5OXO2PYRAZOLINYL)BENZOTHIAZOLE57DICARBOXYLICACID
2(3heptadecyl5oxo45dihydro1Hpyrazol1yl)13benzothiazole57dicarboxylicacid
2(3HEPTADECYL5OXO4HPYRAZOL1YL)13BENZOTHIAZOLE57DICARBOXYLICACID
CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=NC3=CC(=CC(=C3S2)C(=O)O)C(=O)O
InChI=1SC29H41N3O5Sc1234567891011121314151617222025(33)32(3122)2930241921(27(34)35)1823(28(36)37)26(24)3829h1819H21720H21H3(H3435)(H3637)
MFCD00319134
ZINC000101509280
ZINC101509280
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