Vitas-M small molecule compound

6-(4-chlorophenyl)-2,4-dinitro-6,7-dihydro-5H-dibenzo[b,g][1,5]oxazocin-5-one

Catalog ID
STK781026
SMILES Clc1ccc(cc1)N1Cc2ccccc2Oc2c(C1=O)c(cc(c2)[N+](=O)[O-])[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 C20H12ClN3O6 MW 425.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12ClN3O6/c21-13-5-7-14(8-6-13)22-11-12-3-1-2-4-17(12)30-18-10-15(23(26)27)9-16(24(28)29)19(18)20(22)25/h1-10H,11H2
InChIKey
RLKNNVXGWSBNJC-UHFFFAOYSA-N
Synonyms

11(4CHLOROPHENYL)13DINITRO10HBENZO(B)(15)BENZOXAZOCIN12ONE
6(4chlorophenyl)24dinitro67dihydro5Hdibenzo(bg)(15)oxazocin5one
C1C2=CC=CC=C2OC3=CC(=CC(=C3C(=O)N1C4=CC=C(C=C4)Cl)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(cc1)N1Cc2ccccc2Oc2c(C1=O)c(cc(c2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H12ClN3O6c21135714(8613)221112312417(12)30181015(23(26)27)916(24(28)29)19(18)20(22)25h110H11H2
MFCD06014220
ZINC000012360053
ZINC12360053

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Available files

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