Vitas-M small molecule compound
2-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1,3-benzoxazol-2-yl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK223552
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(c1)c1[nH]c2c(n1)cccc2)c1oc2c(n1)cccc2
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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 C28H16N4O3 MW 456.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H16N4O3/c33-27-19-13-12-17(26-31-23-10-3-4-11-24(23)35-26)15-20(19)28(34)32(27)18-7-5-6-16(14-18)25-29-21-8-1-2-9-22(21)30-25/h1-15H,(H,29,30)InChIKey
XSMLAUFXWRXBRY-UHFFFAOYSA-NSynonyms
305361-20-02(3(1Hbenzimidazol2yl)phenyl)5(13benzoxazol2yl)1Hisoindole13(2H)dione
2(3(1HBENZIMIDAZOL2YL)PHENYL)5(13BENZOXAZOL2YL)ISOINDOLE13DIONE
2(3(1Hbenzo(d)imidazol2yl)phenyl)5(benzo(d)oxazol2yl)isoindoline13dione
305361200
C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C6=NC7=CC=CC=C7O6
InChI=1SC28H16N4O3c332719131217(26312310341124(23)3526)1520(19)28(34)32(27)1875616(1418)252921812922(21)3025h115H(H2930)
MFCD02168787
O=C1c2cc(ccc2C(=O)N1c1cccc(c1)c1(nH)c2c(n1)cccc2)c1oc2c(n1)cccc2
ZINC000013647410
ZINC13647410
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