Vitas-M small molecule compound
{3,5-bis[(naphthalen-1-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}(3-nitrophenyl)methanone
Catalog ID
STK187638
SMILES O=C(n1nc(nc1NCc1cccc2c1cccc2)NCc1cccc2c1cccc2)c1cccc(c1)[N+](=O)[O-]
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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 C31H24N6O3 MW 528.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N6O3/c38-29(23-12-7-15-26(18-23)37(39)40)36-31(33-20-25-14-6-11-22-9-2-4-17-28(22)25)34-30(35-36)32-19-24-13-5-10-21-8-1-3-16-27(21)24/h1-18H,19-20H2,(H2,32,33,34,35)InChIKey
YTADVMRZWAKPFQ-UHFFFAOYSA-NSynonyms
(35BIS((NAPHTHALEN1YLMETHYL)AMINO)1H124TRIAZOL1YL)(3NITROPHENYL)METHANONE
(35bis(naphthalen1ylmethylamino)124triazol1yl)(3nitrophenyl)methanone
C1=CC=C2C(=C1)C=CC=C2CNC3=NN(C(=N3)NCC4=CC=CC5=CC=CC=C54)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC31H24N6O3c3829(231271526(1823)37(39)40)3631(33202514611229241728(22)25)3430(3536)32192413510218131627(21)24h118H1920H2(H232333435)
MFCD06664612
O=C(n1nc(nc1NCc1cccc2c1cccc2)NCc1cccc2c1cccc2)c1cccc(c1)(N+)(=O)(O)
ZINC000097995314
ZINC97995314
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