Vitas-M small molecule compound
2-(biphenyl-4-yl)-2-oxoethyl 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)benzoate (non-preferred name)
Catalog ID
STK268944
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(cc2)c2ccccc2)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C39H27NO5 MW 589.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H27NO5/c41-32(25-16-14-24(15-17-25)23-8-2-1-3-9-23)22-45-39(44)26-18-20-27(21-19-26)40-37(42)35-33-28-10-4-5-11-29(28)34(36(35)38(40)43)31-13-7-6-12-30(31)33/h1-21,33-36H,22H2InChIKey
RFQLYLRVCQSNHD-UHFFFAOYSA-NSynonyms
2(biphenyl4yl)2oxoethyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC39H27NO5c4132(25161424(151725)238213923)224539(44)26182027(211926)4037(42)35332810451129(28)34(36(35)38(40)43)3113761230(31)33h1213336H22H2
MFCD01616590
ZINC000004179329
ZINC000004179336
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