Vitas-M small molecule compound
1-acetyl-17-(1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK760916
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)C2C1C1c3ccccc3C2(c2c1cccc2)C(=O)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 C27H19NO5 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19NO5/c1-14(29)27-18-8-4-2-6-16(18)22(17-7-3-5-9-19(17)27)23-24(27)26(31)28(25(23)30)15-10-11-20-21(12-15)33-13-32-20/h2-12,22-24H,13H2,1H3InChIKey
OBXZXHFSTBKDDH-UHFFFAOYSA-NSynonyms
1acetyl17(13benzodioxol5yl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
InChI=1SC27H19NO5c114(29)2718842616(18)22(17735919(17)27)2324(27)26(31)28(25(23)30)1510112021(1215)33133220h2122224H13H21H3
MFCD01802319
ZINC000001091371
ZINC000001091374
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