Vitas-M small molecule compound
4-tert-butylphenyl 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)propanoate (non-preferred name)
Catalog ID
STK286480
SMILES O=C(Oc1ccc(cc1)C(C)(C)C)CCN1C(=O)C2C(C1=O)C1c3c(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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-31(2,3)18-12-14-19(15-13-18)36-24(33)16-17-32-29(34)27-25-20-8-4-5-9-21(20)26(28(27)30(32)35)23-11-7-6-10-22(23)25/h4-15,25-28H,16-17H2,1-3H3InChIKey
PXMAJCOSUDSTHY-UHFFFAOYSA-NSynonyms
4tertbutylphenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoate(nonpreferredname)
CC(C)(C)C1=CC=C(C=C1)OC(=O)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H29NO4c131(23)18121419(151318)3624(33)16173229(34)272520845921(20)26(28(27)30(32)35)2311761022(23)25h4152528H1617H213H3
MFCD03576998
ZINC000009371810
ZINC000017988196
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