Vitas-M small molecule compound

{4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl}(4-nitrophenyl)methanone

Catalog ID
STK728145
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)Oc1ccc(cc1[N+](=O)[O-])C(=O)c1ccc(cc1)[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 C26H17N5O6 MW 495.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N5O6/c1-16-6-12-24(22(14-16)29-27-20-4-2-3-5-21(20)28-29)37-25-13-9-18(15-23(25)31(35)36)26(32)17-7-10-19(11-8-17)30(33)34/h2-15H,1H3
InChIKey
YBCMCZCBTQSOFO-UHFFFAOYSA-N
Synonyms
313069-36-2
(4(2(2Hbenzo(d)(123)triazol2yl)4methylphenoxy)3nitrophenyl)(4nitrophenyl)methanone
(4(2(2Hbenzotriazol2yl)4methylphenoxy)3nitrophenyl)(4nitrophenyl)methanone
(4(2(BENZOTRIAZOL2YL)4METHYLPHENOXY)3NITROPHENYL)(4NITROPHENYL)METHANONE
313069362
CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))N4N=C5C=CC=CC5=N4
Cc1ccc(c(c1)n1nc2c(n1)cccc2)Oc1ccc(cc1(N+)(=O)(O))C(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H17N5O6c11661224(22(1416)292720423521(20)2829)372513918(1523(25)31(35)36)26(32)1771019(11817)30(33)34h215H1H3
MFCD01197379
ZINC000008826754
ZINC08826754
ZINC8826754

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Available files

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