Vitas-M small molecule compound
(5Z)-1-(1,3-benzodioxol-5-yl)-5-{[1-(butan-2-yl)-1H-indol-3-yl]methylidene}-2-hydroxypyrimidine-4,6(1H,5H)-dione
Catalog ID
STL041791
SMILES CCC(n1cc(c2c1cccc2)/C=C\1/C(=O)N=C(N(C1=O)c1ccc2c(c1)OCO2)O)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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-3-14(2)26-12-15(17-6-4-5-7-19(17)26)10-18-22(28)25-24(30)27(23(18)29)16-8-9-20-21(11-16)32-13-31-20/h4-12,14H,3,13H2,1-2H3,(H,25,28,30)/b18-10-InChIKey
MUWYVJYOMIBAQC-ZDLGFXPLSA-NSynonyms
(5Z)1(13benzodioxol5yl)5((1(butan2yl)1Hindol3yl)methylidene)2hydroxypyrimidine46(1H5H)dione
(5Z)1(13benzodioxol5yl)5((1butan2ylindol3yl)methylidene)13diazinane246trione
CCC(C)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
CCC(n1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccc2c(c1)OCO2)O)C
InChI=1SC24H21N3O5c1314(2)261215(17645719(17)26)101822(28)2524(30)27(23(18)29)16892021(1116)32133120h41214H313H212H3(H252830)b1810
MFCD05733856
ZINC000001273052
ZINC000017250183
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