Vitas-M small molecule compound
10a-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL531471
SMILES CCCCOc1ccc(cc1OCC)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)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 C28H36N2O3 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O3/c1-6-8-17-33-24-12-10-21(19-25(24)32-7-2)13-15-28-27(4,5)22-18-20(3)9-11-23(22)30(28)16-14-26(31)29-28/h9-13,15,18-19H,6-8,14,16-17H2,1-5H3,(H,29,31)/b15-13+InChIKey
ALRFUPNFCYXTHO-FYWRMAATSA-NSynonyms
(E)10a(4butoxy3ethoxystyryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10~(a)((~(E))2(4butoxy3ethoxyphenyl)ethenyl)81010trimethyl34dihydro1~(H)pyrimido(12a)indol2one
10a((E)2(4butoxy3ethoxyphenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
6216617
CCCCOc1ccc(cc1OCC)C=CC12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C
InChI=1SC28H36N2O3c168173324121021(1925(24)3272)13152827(45)221820(3)91123(22)30(28)161426(31)2928h913151819H68141617H215H3(H2931)b1513+
MFCD06493255
ZINC000002129019
ZINC000008918624
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