Vitas-M small molecule compound
4-{4-[(2-chlorophenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide
Catalog ID
STK175369
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1Cl)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 C28H31ClN4O4 MW 523.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN4O4/c29-23-4-2-1-3-22(23)27(35)32-9-7-31(8-10-32)24-6-5-21(14-25(24)33(36)37)26(34)30-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-6,14,18-20H,7-13,15-17H2,(H,30,34)InChIKey
IADWVMMVMAACOA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1Cl)C(=O)NC12CC3CC(C2)CC(C1)C3
4(4((2chlorophenyl)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=C6Cl
InChI=1SC28H31ClN4O4c2923421322(23)27(35)329731(81032)246521(1425(24)33(36)37)26(34)302815181119(1628)1320(1218)1728h16141820H7131517H2(H3034)
MFCD04075944
N(1ADAMANTYL)4(4(2CHLOROBENZOYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000009892486
ZINC09892486
ZINC9892486
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