Vitas-M small molecule compound
N-ethyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline
Catalog ID
STK205848
SMILES CCNc1cc(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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-2-23-21-16-19(8-10-22(21)26(27)28)24-11-13-25(14-12-24)31(29,30)20-9-7-17-5-3-4-6-18(17)15-20/h7-10,15-16,23H,2-6,11-14H2,1H3InChIKey
JIAWUUBQVZRHIG-UHFFFAOYSA-NSynonyms
CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)(N+)(=O)(O)
InChI=1SC22H28N4O4Sc1223211619(81022(21)26(27)28)24111325(141224)31(2930)209717534618(17)1520h710151623H261114H21H3
MFCD05826458
Nethyl2nitro5(4(5678tetrahydronaphthalen2ylsulfonyl)piperazin1yl)aniline
ZINC000008672191
ZINC08672191
ZINC8672191
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