Vitas-M small molecule compound
[1-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-yl][4-(4-methoxyphenyl)piperazin-1-yl]methanone
Catalog ID
STL441952
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nn(c(c1)c1ccccc1)c1nc2c(s1)cccc2
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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 C28H25N5O2S MW 495.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O2S/c1-35-22-13-11-21(12-14-22)31-15-17-32(18-16-31)27(34)24-19-25(20-7-3-2-4-8-20)33(30-24)28-29-23-9-5-6-10-26(23)36-28/h2-14,19H,15-18H2,1H3InChIKey
SCPIHSCJQSDFDS-UHFFFAOYSA-NSynonyms
(1(13benzothiazol2yl)5phenyl1Hpyrazol3yl)(4(4methoxyphenyl)piperazin1yl)methanone
(1(13benzothiazol2yl)5phenylpyrazol3yl)(4(4methoxyphenyl)piperazin1yl)methanone
(1(BENZO(D)THIAZOL2YL)5PHENYL1HPYRAZOL3YL)(4(4METHOXYPHENYL)PIPERAZIN1YL)METHANONE
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5
InChI=1SC28H25N5O2Sc13522131121(121422)31151732(181631)27(34)241925(207324820)33(3024)2829239561026(23)3628h21419H1518H21H3
MFCD09992640
ZINC000033435897
ZINC33435897
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