Vitas-M small molecule compound
4-(2-methylbutan-2-yl)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-hexaen-17-yl)acetate (non-preferred name)
Catalog ID
STK286494
SMILES CCC(c1ccc(cc1)OC(=O)CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)(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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-4-31(2,3)18-13-15-19(16-14-18)36-24(33)17-32-29(34)27-25-20-9-5-6-10-21(20)26(28(27)30(32)35)23-12-8-7-11-22(23)25/h5-16,25-28H,4,17H2,1-3H3InChIKey
YWEHNQBBQNNDEQ-UHFFFAOYSA-NSynonyms
4(2methylbutan2yl)phenyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CCC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H29NO4c1431(23)18131519(161418)3624(33)173229(34)2725209561021(20)26(28(27)30(32)35)2312871122(23)25h5162528H417H213H3
MFCD03577071
ZINC000009371823
ZINC000017837604
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