Vitas-M small molecule compound
N-methyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline
Catalog ID
STK206148
SMILES CNc1cc(ccc1[N+](=O)[O-])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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-22-20-15-18(7-9-21(20)25(26)27)23-10-12-24(13-11-23)30(28,29)19-8-6-16-4-2-3-5-17(16)14-19/h6-9,14-15,22H,2-5,10-13H2,1H3InChIKey
AKRRBOOYALQSGA-UHFFFAOYSA-NSynonyms
CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)(N+)(=O)(O)
InChI=1SC21H26N4O4Sc122201518(7921(20)25(26)27)23101224(131123)30(2829)198616423517(16)1419h69141522H251013H21H3
MFCD06634363
Nmethyl2nitro5(4(5678tetrahydronaphthalen2ylsulfonyl)piperazin1yl)aniline
ZINC000009971947
ZINC09971947
ZINC9971947
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