Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-[{[2-(5-butyl-1H-indol-3-yl)ethyl]amino}(4-methoxyphenyl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440979
SMILES CCCCc1ccc2c(c1)c(CCN/C(=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)/c1ccc(cc1)OC)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 C32H31BrN4O4 MW 615.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31BrN4O4/c1-3-4-5-20-6-15-27-26(18-20)22(19-35-27)16-17-34-29(21-7-13-25(41-2)14-8-21)28-30(38)36-32(40)37(31(28)39)24-11-9-23(33)10-12-24/h6-15,18-19,34-35H,3-5,16-17H2,1-2H3,(H,36,38,40)/b29-28+InChIKey
BCEGWTPIQANSJP-ZQHSETAFSA-NSynonyms
(5E)1(4bromophenyl)5(((2(5butyl1Hindol3yl)ethyl)amino)(4methoxyphenyl)methylidene)pyrimidine246(1H3H5H)trione
(5E)1(4BROMOPHENYL)5((2(5BUTYL1HINDOL3YL)ETHYLAMINO)(4METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
CCCCC1=CC2=C(C=C1)NC=C2CCNC(=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC
CCCCc1ccc2c(c1)c(CCNC(=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)c1ccc(cc1)OC)c(nH)2
InChI=1SC32H31BrN4O4c1345206152726(1820)22(193527)16173429(2171325(412)14821)2830(38)3632(40)37(31(28)39)2411923(33)101224h61518193435H351617H212H3(H363840)b2928+
MFCD06241067
ZINC000101380795
ZINC101380795
Check stock
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Check stock on Vitas-MAvailable files
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