Vitas-M small molecule compound
17-[4-(hexyloxy)phenyl]-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid (non-preferred name)
Catalog ID
STK325344
SMILES CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(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 C31H29NO5 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO5/c1-2-3-4-9-18-37-20-16-14-19(15-17-20)32-28(33)26-25-21-10-5-7-12-23(21)31(30(35)36,27(26)29(32)34)24-13-8-6-11-22(24)25/h5-8,10-17,25-27H,2-4,9,18H2,1H3,(H,35,36)InChIKey
NJTHHGPXTZRHLG-UHFFFAOYSA-NSynonyms
17(4(hexyloxy)phenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1carboxylicacid(nonpreferredname)
CCCCCCOC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C(=O)O
InChI=1SC31H29NO5c12349183720161419(151720)3228(33)26252110571223(21)31(30(35)3627(26)29(32)34)2413861122(24)25h5810172527H24918H21H3(H3536)
MFCD01593956
ZINC000018173466
ZINC000018173472
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