Vitas-M small molecule compound

2-(1H-benzotriazol-1-yl)-1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanone

Catalog ID
STK728271
SMILES O=C(c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-])Cn1nnc2c1cccc2

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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 C20H13ClN4O4 MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN4O4/c21-15-4-3-7-18(25(27)28)20(15)29-14-10-8-13(9-11-14)19(26)12-24-17-6-2-1-5-16(17)22-23-24/h1-11H,12H2
InChIKey
MQGWDWRVTZVUDK-UHFFFAOYSA-N
Synonyms
834906-90-0
2(1Hbenzo(d)(123)triazol1yl)1(4(2chloro6nitrophenoxy)phenyl)ethanone
2(1Hbenzotriazol1yl)1(4(2chloro6nitrophenoxy)phenyl)ethanone
2(BENZOTRIAZOL1YL)1(4(2CHLORO6NITROPHENOXY)PHENYL)ETHANONE
834906900
C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)(N+)(=O)(O)
InChI=1SC20H13ClN4O4c211543718(25(27)28)20(15)291410813(91114)19(26)122417621516(17)222324h111H12H2
MFCD03161112
O=C(c1ccc(cc1)Oc1c(Cl)cccc1(N+)(=O)(O))Cn1nnc2c1cccc2
ZINC000002751224
ZINC02751224
ZINC2751224

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Available files

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