Vitas-M small molecule compound
2-[2,2-dicyano-1-(propan-2-ylamino)ethenyl]-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
Catalog ID
STL433879
SMILES N#CC(=C(C1(C#N)C(C1(C#N)C#N)c1cccc(c1)[N+](=O)[O-])NC(C)C)C#N
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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 C19H13N7O2 MW 371.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N7O2/c1-12(2)25-17(14(7-20)8-21)19(11-24)16(18(19,9-22)10-23)13-4-3-5-15(6-13)26(27)28/h3-6,12,16,25H,1-2H3InChIKey
BEFGDEWGNRZEOL-UHFFFAOYSA-NSynonyms
2(22dicyano1(propan2ylamino)ethenyl)3(3nitrophenyl)cyclopropane112tricarbonitrile
CC(C)NC(=C(C#N)C#N)C1(C(C1(C#N)C#N)C2=CC(=CC=C2)(N+)(=O)(O))C#N
InChI=1SC19H13N7O2c112(2)2517(14(720)821)19(1124)16(18(19922)1023)1343515(613)26(27)28h36121625H12H3
MFCD26098130
N#CC(=C(C1(C#N)C(C1(C#N)C#N)c1cccc(c1)(N+)(=O)(O))NC(C)C)C#N
ZINC000078547414
ZINC000078547425
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