Vitas-M small molecule compound
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl][4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methanone
Catalog ID
STK683773
SMILES O=C(c1cnn2c1nc(cc2C(F)F)c1ccccc1)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
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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 C28H31F2N5O MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31F2N5O/c29-25(30)24-13-23(21-4-2-1-3-5-21)32-26-22(17-31-35(24)26)27(36)33-6-8-34(9-7-33)28-14-18-10-19(15-28)12-20(11-18)16-28/h1-5,13,17-20,25H,6-12,14-16H2InChIKey
SNQPFPZWZVSMGP-UHFFFAOYSA-NSynonyms
(4(1ADAMANTYL)PIPERAZIN1YL)(7(DIFLUOROMETHYL)5PHENYLPYRAZOLO(15A)PYRIMIDIN3YL)METHANONE
(7(difluoromethyl)5phenylpyrazolo(15a)pyrimidin3yl)(4(tricyclo(3311~37~)dec1yl)piperazin1yl)methanone
C1CN(CCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6
InChI=1SC28H31F2N5Oc2925(30)241323(214213521)322622(173135(24)26)27(36)336834(9733)2814181019(1528)1220(1118)1628h1513172025H6121416H2
MFCD05258717
ZINC000012376952
ZINC12376952
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