Vitas-M small molecule compound
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK673168
SMILES Clc1ccc(c(c1)Cl)Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl
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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 C25H22Cl3N5O4 MW 562.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl3N5O4/c26-16-1-2-21(20(27)4-16)37-19-6-17(5-18(7-19)33(35)36)30-22(34)24-8-14-3-15(9-24)11-25(10-14,12-24)32-13-29-23(28)31-32/h1-2,4-7,13-15H,3,8-12H2,(H,30,34)InChIKey
RNPQKBLVNVYHIT-UHFFFAOYSA-NSynonyms
3(3CHLORO124TRIAZOL1YL)N(3(24DICHLOROPHENOXY)5NITROPHENYL)ADAMANTANE1CARBOXAMIDE
3(3chloro1H124triazol1yl)N(3(24dichlorophenoxy)5nitrophenyl)tricyclo(3311~37~)decane1carboxamide
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=C(C=C(C=C6)Cl)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)Oc1cc(cc(c1)(N+)(=O)(O))NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl
InChI=1SC25H22Cl3N5O4c26161221(20(27)416)3719617(518(719)33(35)36)3022(34)24814315(924)1125(10141224)32132923(28)3132h12471315H3812H2(H3034)
MFCD02066929
ZINC000003663300
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