Vitas-M small molecule compound
5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Catalog ID
STK054164
SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]
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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 C28H35ClN4O4S MW 559.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35ClN4O4S/c1-19(28-16-20-12-21(17-28)14-22(13-20)18-28)30-26-15-24(4-7-27(26)33(34)35)31-8-10-32(11-9-31)38(36,37)25-5-2-23(29)3-6-25/h2-7,15,19-22,30H,8-14,16-18H2,1H3InChIKey
BRVCJWWDYCPWBG-UHFFFAOYSA-NSynonyms
1((4(3((ADAMANTANYLETHYL)AMINO)4NITROPHENYL)PIPERAZINYL)SULFONYL)4CHLOROBENZENE
5(4((4chlorophenyl)sulfonyl)piperazin1yl)2nitroN(1(tricyclo(3311~37~)dec1yl)ethyl)aniline
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(C=C6)Cl)(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC28H35ClN4O4Sc119(2816201221(1728)1422(1320)1828)30261524(4727(26)33(34)35)3181032(11931)38(3637)255223(29)3625h2715192230H8141618H21H3
MFCD02625904
N(1((3r5r7r)adamantan1yl)ethyl)5(4((4chlorophenyl)sulfonyl)piperazin1yl)2nitroaniline
N(1(1ADAMANTYL)ETHYL)5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITROANILINE
STK054164
ZINC000100221358
ZINC000100221363
Check stock
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Check stock on Vitas-MAvailable files
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