Vitas-M small molecule compound
{3-[(E)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}acetic acid
Catalog ID
STL357755
SMILES CCCN1C(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)O)/C(=O)N(C1=S)c1ccccc1
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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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-2-12-26-22(30)19(23(31)27(24(26)32)17-8-4-3-5-9-17)13-16-14-25(15-21(28)29)20-11-7-6-10-18(16)20/h3-11,13-14H,2,12,15H2,1H3,(H,28,29)/b19-13+InChIKey
PSAYEZYNBVUNJO-CPNJWEJPSA-NSynonyms
444786-02-1(3((E)(46dioxo1phenyl3propyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)aceticacid
(E)2(3((46dioxo1phenyl3propyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)aceticacid
2(3((E)(46DIOXO1PHENYL3PROPYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETICACID
444786021
CCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)N(C1=S)C4=CC=CC=C4
CCCN1C(=O)C(=Cc2cn(c3c2cccc3)CC(=O)O)C(=O)N(C1=S)c1ccccc1
InChI=1SC24H21N3O4Sc12122622(30)19(23(31)27(24(26)32)178435917)13161425(1521(28)29)2011761018(16)20h3111314H21215H21H3(H2829)b1913+
MFCD03270116
ZINC000008396142
ZINC8396142
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