Vitas-M small molecule compound
4-({[6-(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)hexanoyl]oxy}acetyl)phenyl 3,4-dichlorobenzoate (non-preferred name)
Catalog ID
STK286795
SMILES O=C(OCC(=O)c1ccc(cc1)OC(=O)c1ccc(c(c1)Cl)Cl)CCCCCN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C39H31Cl2NO7 MW 696.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H31Cl2NO7/c40-29-18-15-23(20-30(29)41)39(47)49-24-16-13-22(14-17-24)31(43)21-48-32(44)12-2-1-7-19-42-37(45)35-33-25-8-3-4-9-26(25)34(36(35)38(42)46)28-11-6-5-10-27(28)33/h3-6,8-11,13-18,20,33-36H,1-2,7,12,19,21H2InChIKey
PHEQVZHNWXBLHQ-UHFFFAOYSA-NSynonyms
4(((6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoyl)oxy)acetyl)phenyl34dichlorobenzoate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCCCCC(=O)OCC(=O)C6=CC=C(C=C6)OC(=O)C7=CC(=C(C=C7)Cl)Cl
InChI=1SC39H31Cl2NO7c4029181523(2030(29)41)39(47)4924161322(141724)31(43)214832(44)12217194237(45)353325834926(25)34(36(35)38(42)46)2811651027(28)33h368111318203336H127121921H2
MFCD03900825
ZINC000097949264
ZINC000097949266
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