Vitas-M small molecule compound
10a-[(E)-2-{4-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-8,10,10-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Catalog ID
STK588997
SMILES COc1cc(ccc1OCc1cccc(c1)Cl)/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 C30H31ClN2O3 MW 503.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O3/c1-20-8-10-25-24(16-20)29(2,3)30(32-28(34)13-15-33(25)30)14-12-21-9-11-26(27(18-21)35-4)36-19-22-6-5-7-23(31)17-22/h5-12,14,16-18H,13,15,19H2,1-4H3,(H,32,34)/b14-12+InChIKey
XVJAMRFWQMPTFH-WYMLVPIESA-NSynonyms
(E)10a(4((3chlorobenzyl)oxy)3methoxystyryl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10a((E)2(4((3chlorobenzyl)oxy)3methoxyphenyl)ethenyl)81010trimethyl341010atetrahydropyrimido(12a)indol2(1H)one
10a((E)2(4((3chlorophenyl)methoxy)3methoxyphenyl)ethenyl)81010trimethyl34dihydro1Hpyrimido(12a)indol2one
CC1=CC2=C(C=C1)N3CCC(=O)NC3(C2(C)C)C=CC4=CC(=C(C=C4)OCC5=CC(=CC=C5)Cl)OC
COc1cc(ccc1OCc1cccc(c1)Cl)C=CC12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C
InChI=1SC30H31ClN2O3c1208102524(1620)29(23)30(3228(34)131533(25)30)14122191126(27(1821)354)36192265723(31)1722h512141618H131519H214H3(H3234)b1412+
ZINC000002203351
ZINC000009266164
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