Vitas-M small molecule compound

1-(4-methylphenyl)-1-oxopropan-2-yl 3-(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
STK269313
SMILES Cc1ccc(cc1)C(=O)C(OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)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 C35H27NO5 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27NO5/c1-19-14-16-21(17-15-19)32(37)20(2)41-35(40)22-8-7-9-23(18-22)36-33(38)30-28-24-10-3-4-11-25(24)29(31(30)34(36)39)27-13-6-5-12-26(27)28/h3-18,20,28-31H,1-2H3
InChIKey
XUCBHJJXGCQWPE-UHFFFAOYSA-N
Synonyms

1(4methylphenyl)1oxopropan2yl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC35H27NO5c119141621(171519)32(37)20(2)4135(40)2287923(1822)3633(38)30282410341125(24)29(31(30)34(36)39)2713651226(27)28h318202831H12H3
MFCD02318341
ZINC000000688645
ZINC000229859386

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Available files

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