Vitas-M small molecule compound

2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK295790
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(c1)c1oc2c(n1)cccc2)[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 C21H11N3O5 MW 385.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N3O5/c25-20-15-9-8-14(24(27)28)11-16(15)21(26)23(20)13-5-3-4-12(10-13)19-22-17-6-1-2-7-18(17)29-19/h1-11H
InChIKey
CEDVIXXAQHMUTP-UHFFFAOYSA-N
Synonyms

2(3(13benzoxazol2yl)phenyl)5nitro1Hisoindole13(2H)dione
2(3(13BENZOXAZOL2YL)PHENYL)5NITROISOINDOLE13DIONE
2(3BENZOXAZOL2YLPHENYL)5NITROBENZO(C)AZOLIDINE13DIONE
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O)
InChI=1SC21H11N3O5c2520159814(24(27)28)1116(15)21(26)23(20)1353412(1013)192217612718(17)2919h111H
MFCD01009762
O=C1c2cc(ccc2C(=O)N1c1cccc(c1)c1oc2c(n1)cccc2)(N+)(=O)(O)
ZINC000001085678
ZINC01085678
ZINC1085678

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Available files

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