Vitas-M small molecule compound
4-{4-[(3-fluorophenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide
Catalog ID
STK175392
SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)NC12CC3CC(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 C28H31FN4O4 MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN4O4/c29-23-3-1-2-22(13-23)27(35)32-8-6-31(7-9-32)24-5-4-21(14-25(24)33(36)37)26(34)30-28-15-18-10-19(16-28)12-20(11-18)17-28/h1-5,13-14,18-20H,6-12,15-17H2,(H,30,34)InChIKey
CSAWAFIQRNIOLJ-UHFFFAOYSA-NSynonyms
4(4((3fluorophenyl)carbonyl)piperazin1yl)3nitroN(tricyclo(3311~37~)dec1yl)benzamide
C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)(N+)(=O)(O))C(=O)C6=CC(=CC=C6)F
Fc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(=O)NC12CC3CC(C2)CC(C1)C3
InChI=1SC28H31FN4O4c292331222(1323)27(35)328631(7932)245421(1425(24)33(36)37)26(34)302815181019(1628)1220(1118)1728h1513141820H6121517H2(H3034)
MFCD05023146
N(1ADAMANTYL)4(4(3FLUOROBENZOYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000009892493
ZINC09892493
ZINC9892493
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