Vitas-M small molecule compound
phenyl 2-({[4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)cyclohexyl]carbonyl}oxy)benzoate (non-preferred name)
Catalog ID
STK387165
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Oc1ccccc1C(=O)Oc1ccccc1
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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 C38H31NO6 MW 597.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31NO6/c40-35-33-31-25-12-4-5-13-26(25)32(28-15-7-6-14-27(28)31)34(33)36(41)39(35)23-20-18-22(19-21-23)37(42)45-30-17-9-8-16-29(30)38(43)44-24-10-2-1-3-11-24/h1-17,22-23,31-34H,18-21H2InChIKey
LHOOCKUZSCXURE-UHFFFAOYSA-NSynonyms
C1CC(CCC1C(=O)OC2=CC=CC=C2C(=O)OC3=CC=CC=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC38H31NO6c403533312512451326(25)32(2815761427(28)31)34(33)36(41)39(35)23201822(192123)37(42)453017981629(30)38(43)4424102131124h11722233134H1821H2
MFCD03037738
phenyl2(((4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)cyclohexyl)carbonyl)oxy)benzoate(nonpreferredname)
ZINC000102083367
ZINC000102083381
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