Vitas-M small molecule compound
N-[4-(4-tert-butylphenoxy)phenyl]-2-(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)hexanamide (non-preferred name)
Catalog ID
STK358840
SMILES CCCCC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)Nc1ccc(cc1)Oc1ccc(cc1)C(C)(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 C40H40N2O4 MW 612.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H40N2O4/c1-5-6-15-32(37(43)41-25-18-22-27(23-19-25)46-26-20-16-24(17-21-26)40(2,3)4)42-38(44)35-33-28-11-7-8-12-29(28)34(36(35)39(42)45)31-14-10-9-13-30(31)33/h7-14,16-23,32-36H,5-6,15H2,1-4H3,(H,41,43)InChIKey
LAEKJFQRAATNRH-UHFFFAOYSA-NSynonyms
CCCCC(C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC40H40N2O4c1561532(37(43)4125182227(231925)4626201624(172126)40(23)4)4238(44)35332811781229(28)34(36(35)39(42)45)31141091330(31)33h71416233236H5615H214H3(H4143)
MFCD02822569
N(4(4tertbutylphenoxy)phenyl)2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanamide(nonpreferredname)
ZINC000059211889
ZINC000230061651
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