Vitas-M small molecule compound
4-[5-(2-iodophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenyl benzoate
Catalog ID
STL050071
SMILES COc1cc(ccc1OC(=O)c1ccccc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1I)c1ccccc1
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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 C31H23IN2O6 MW 646.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23IN2O6/c1-38-25-18-20(16-17-24(25)39-31(37)19-10-4-2-5-11-19)27-26-28(40-34(27)21-12-6-3-7-13-21)30(36)33(29(26)35)23-15-9-8-14-22(23)32/h2-18,26-28H,1H3InChIKey
DYHPUZLBYYJFMS-UHFFFAOYSA-NSynonyms
(4(5(2IODOPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)2METHOXYPHENYL)BENZOATE
4(5(2iodophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)2methoxyphenylbenzoate
4(5(2iodophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)2methoxyphenylbenzoate
COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4I)ON2C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI=1SC31H23IN2O6c138251820(161724(25)3931(37)19104251119)272628(4034(27)21126371321)30(36)33(29(26)35)2315981422(23)32h2182628H1H3
MFCD05732136
ZINC000150436987
ZINC000227229567
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