Vitas-M small molecule compound
3-(4-chlorophenyl)-6,6-dimethyl-2-nitro-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one
Catalog ID
STK536778
SMILES Clc1ccc(cc1)C1C2=C(OC1[N+](=O)[O-])CC(CC2=O)(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 C16H16ClNO4 MW 321.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClNO4/c1-16(2)7-11(19)14-12(8-16)22-15(18(20)21)13(14)9-3-5-10(17)6-4-9/h3-6,13,15H,7-8H2,1-2H3InChIKey
HEOJEQUCZJLCTH-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)66dimethyl2nitro2357tetrahydro1benzofuran4one
3(4chlorophenyl)66dimethyl2nitro2367tetrahydrobenzofuran4(5H)one
3(4chlorophenyl)66dimethyl2nitro3567tetrahydro1benzofuran4(2H)one
CC1(CC2=C(C(C(O2)(N+)(=O)(O))C3=CC=C(C=C3)Cl)C(=O)C1)C
Clc1ccc(cc1)C1C2=C(OC1(N+)(=O)(O))CC(CC2=O)(C)C
InChI=1SC16H16ClNO4c116(2)711(19)1412(816)2215(18(20)21)13(14)93510(17)649h361315H78H212H3
MFCD02316299
ZINC000100788857
ZINC000100788862
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