Vitas-M small molecule compound
10a-{(E)-2-[3-methoxy-4-(octyloxy)phenyl]ethenyl}-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STL528916
SMILES CCCCCCCCOc1ccc(cc1OC)/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 C31H42N2O3 MW 490.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O3/c1-6-7-8-9-10-11-20-36-27-15-13-24(22-28(27)35-5)16-18-31-30(3,4)25-21-23(2)12-14-26(25)33(31)19-17-29(34)32-31/h12-16,18,21-22H,6-11,17,19-20H2,1-5H3,(H,32,34)/b18-16+InChIKey
YGYBYOFRCKMZKG-FBMGVBCBSA-NSynonyms
(E)10a(3methoxy4(octyloxy)styryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10~(a)((~(E))2(3methoxy4octoxyphenyl)ethenyl)81010trimethyl34dihydro1~(H)pyrimido(12a)indol2one
10a((E)2(3methoxy4(octyloxy)phenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
6216945
CCCCCCCCOc1ccc(cc1OC)C=CC12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C
InChI=1SC31H42N2O3c167891011203627151324(2228(27)355)16183130(34)252123(2)121426(25)33(31)191729(34)3231h1216182122H611171920H215H3(H3234)b1816+
MFCD06495995
ZINC000002138733
ZINC000070698832
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