Vitas-M small molecule compound
(5E)-5-[{[2-(5-butyl-1H-indol-3-yl)ethyl]amino}(phenyl)methylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440974
SMILES CCCCc1ccc2c(c1)c(CCN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC)/c1ccccc1)c[nH]2
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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 C32H32N4O4 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O4/c1-3-4-8-21-11-16-27-26(19-21)23(20-34-27)17-18-33-29(22-9-6-5-7-10-22)28-30(37)35-32(39)36(31(28)38)24-12-14-25(40-2)15-13-24/h5-7,9-16,19-20,33-34H,3-4,8,17-18H2,1-2H3,(H,35,37,39)/b29-28+InChIKey
JESHZPCAHLYUQC-ZQHSETAFSA-NSynonyms
(5E)5(((2(5butyl1Hindol3yl)ethyl)amino)(phenyl)methylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((2(5BUTYL1HINDOL3YL)ETHYLAMINO)PHENYLMETHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CCCCC1=CC2=C(C=C1)NC=C2CCNC(=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
CCCCc1ccc2c(c1)c(CCNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC)c1ccccc1)c(nH)2
InChI=1SC32H32N4O4c13482111162726(1921)23(203427)17183329(2296571022)2830(37)3532(39)36(31(28)38)24121425(402)151324h5791619203334H3481718H212H3(H353739)b2928+
MFCD06241061
ZINC000101380817
ZINC101380817
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