Vitas-M small molecule compound
2-(4-tert-butylphenyl)-7-methyl-5-nitro-1,3-benzoxazole
Catalog ID
STL495504
SMILES [O-][N+](=O)c1cc(C)c2c(c1)nc(o2)c1ccc(cc1)C(C)(C)C
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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 C18H18N2O3 MW 310.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3/c1-11-9-14(20(21)22)10-15-16(11)23-17(19-15)12-5-7-13(8-6-12)18(2,3)4/h5-10H,1-4H3InChIKey
FCYJEZXIERJUSB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(C)c2c(c1)nc(o2)c1ccc(cc1)C(C)(C)C
2(4tertbutylphenyl)7methyl5nitro13benzoxazole
CC1=CC(=CC2=C1OC(=N2)C3=CC=C(C=C3)C(C)(C)C)(N+)(=O)(O)
InChI=1SC18H18N2O3c111914(20(21)22)101516(11)2317(1915)125713(8612)18(23)4h510H14H3
MFCD22193202
ZINC000073639258
ZINC73639258
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