Vitas-M small molecule compound
(5Z)-3-(4-ethoxyphenyl)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}heptylidene)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL044139
SMILES CCCCCC/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)OCC)O)/NCCc1c[nH]c2c1cccc2
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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 C29H34N4O4 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O4/c1-3-5-6-7-12-25(30-18-17-20-19-31-24-11-9-8-10-23(20)24)26-27(34)32-29(36)33(28(26)35)21-13-15-22(16-14-21)37-4-2/h8-11,13-16,19,30-31H,3-7,12,17-18H2,1-2H3,(H,32,34,36)/b26-25-InChIKey
DKIXPVRRJDXECW-QPLCGJKRSA-NSynonyms
(5Z)1(4ETHOXYPHENYL)5(1(2(1HINDOL3YL)ETHYLAMINO)HEPTYLIDENE)13DIAZINANE246TRIONE
(5Z)3(4ethoxyphenyl)6hydroxy5(1((2(1Hindol3yl)ethyl)amino)heptylidene)pyrimidine24(3H5H)dione
CCCCCCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OCC)O)NCCc1c(nH)c2c1cccc2
CCCCCCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OCC)NCCC3=CNC4=CC=CC=C43
InChI=1SC29H34N4O4c135671225(3018172019312411981023(20)24)2627(34)3229(36)33(28(26)35)21131522(161421)3742h8111316193031H37121718H212H3(H323436)b2625
MFCD04072598
ZINC000020289989
ZINC20289989
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