Vitas-M small molecule compound
4-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide
Catalog ID
STK175348
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl)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 C27H30Cl2N4O5S MW 593.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30Cl2N4O5S/c28-22-3-2-21(13-23(22)29)39(37,38)32-7-5-31(6-8-32)24-4-1-20(12-25(24)33(35)36)26(34)30-27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,12-13,17-19H,5-11,14-16H2,(H,30,34)InChIKey
RLNRGTFOXXXOBC-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl)C(=O)NC12CC3CC(C2)CC(C1)C3
4(4((34dichlorophenyl)sulfonyl)piperazin1yl)3nitroN(tricyclo(3311~37~)dec1yl)benzamide
C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)(N+)(=O)(O))S(=O)(=O)C6=CC(=C(C=C6)Cl)Cl
InChI=1SC27H30Cl2N4O5Sc28223221(1323(22)29)39(3738)327531(6832)244120(1225(24)33(35)36)26(34)30271417918(1527)1119(1017)1627h1412131719H5111416H2(H3034)
MFCD04081003
N(1ADAMANTYL)4(4(34DICHLOROPHENYL)SULFONYLPIPERAZIN1YL)3NITROBENZAMIDE
ZINC000100375147
ZINC100375147
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