Vitas-M small molecule compound
N-benzyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline
Catalog ID
STK205983
SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCC2
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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 C27H30N4O4S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4S/c32-31(33)27-13-11-24(19-26(27)28-20-21-6-2-1-3-7-21)29-14-16-30(17-15-29)36(34,35)25-12-10-22-8-4-5-9-23(22)18-25/h1-3,6-7,10-13,18-19,28H,4-5,8-9,14-17,20H2InChIKey
IMQLEJKGMANPAK-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCC5=CC=CC=C5
InChI=1SC27H30N4O4Sc3231(33)27131124(1926(27)2820216213721)29141630(171529)36(3435)25121022845923(22)1825h13671013181928H4589141720H2
MFCD06167729
Nbenzyl2nitro5(4(5678tetrahydronaphthalen2ylsulfonyl)piperazin1yl)aniline
ZINC000009971783
ZINC09971783
ZINC9971783
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