Vitas-M small molecule compound
2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Catalog ID
STK070071
SMILES CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccccc1[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 C28H35N5O6S MW 569.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O6S/c1-19(28-16-20-12-21(17-28)14-22(13-20)18-28)29-24-15-23(6-7-25(24)32(34)35)30-8-10-31(11-9-30)40(38,39)27-5-3-2-4-26(27)33(36)37/h2-7,15,19-22,29H,8-14,16-18H2,1H3InChIKey
HJNRGABMMPFDEW-UHFFFAOYSA-NSynonyms
2nitro5(4((2nitrophenyl)sulfonyl)piperazin1yl)N(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=CC=C6(N+)(=O)(O))(N+)(=O)(O)
CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC28H35N5O6Sc119(2816201221(1728)1422(1320)1828)29241523(6725(24)32(34)35)3081031(11930)40(3839)27532426(27)33(36)37h2715192229H8141618H21H3
MFCD03306494
N(1(1ADAMANTYL)ETHYL)2NITRO5(4(2NITROPHENYL)SULFONYLPIPERAZIN1YL)ANILINE
STK070071
ZINC000100309986
ZINC000100309987
Check stock
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Check stock on Vitas-MAvailable files
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