Vitas-M small molecule compound
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)phenyl octanoate (non-preferred name)
Catalog ID
STK247481
SMILES CCCCCCCC(=O)Oc1cccc(c1)N1C(=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 C32H31NO4 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO4/c1-2-3-4-5-6-18-26(34)37-21-13-11-12-20(19-21)33-31(35)29-27-22-14-7-8-15-23(22)28(30(29)32(33)36)25-17-10-9-16-24(25)27/h7-17,19,27-30H,2-6,18H2,1H3InChIKey
KSHAEVDEZPRHCI-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenyloctanoate(nonpreferredname)
CCCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC32H31NO4c1234561826(34)372113111220(1921)3331(35)29272214781523(22)28(30(29)32(33)36)25171091624(25)27h717192730H2618H21H3
MFCD01174400
ZINC000002068350
ZINC000002068352
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