Vitas-M small molecule compound
(5E)-5-[{[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]amino}(phenyl)methylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440971
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(/c2ccccc2)\NCCc2c(C)[nH]c3c2cc(Br)cc3)/C1=O
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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 C29H25BrN4O4 MW 573.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN4O4/c1-17-22(23-16-19(30)8-13-24(23)32-17)14-15-31-26(18-6-4-3-5-7-18)25-27(35)33-29(37)34(28(25)36)20-9-11-21(38-2)12-10-20/h3-13,16,31-32H,14-15H2,1-2H3,(H,33,35,37)/b26-25+InChIKey
AMOMNAMPRDWMKI-OCEACIFDSA-NSynonyms
(5E)5(((2(5bromo2methyl1Hindol3yl)ethyl)amino)(phenyl)methylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
(5E)5((2(5BROMO2METHYL1HINDOL3YL)ETHYLAMINO)PHENYLMETHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CC1=C(C2=C(N1)C=CC(=C2)Br)CCNC(=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
COc1ccc(cc1)N1C(=O)NC(=O)C(=C(c2ccccc2)NCCc2c(C)(nH)c3c2cc(Br)cc3)C1=O
InChI=1SC29H25BrN4O4c11722(231619(30)81324(23)3217)14153126(186435718)2527(35)3329(37)34(28(25)36)2091121(382)121020h313163132H1415H212H3(H333537)b2625+
MFCD06241058
ZINC000101380826
ZINC101380826
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