Vitas-M small molecule compound
N,N-diethyl-2-(7-ethyl-3-{(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetamide
Catalog ID
STL367377
SMILES COCCN1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3CC)CC(=O)N(CC)CC)/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 C24H30N4O4S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O4S/c1-5-16-9-8-10-18-17(14-27(21(16)18)15-20(29)26(6-2)7-3)13-19-22(30)25-24(33)28(23(19)31)11-12-32-4/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,25,30,33)/b19-13+InChIKey
ANRHCCIMDCWNQX-CPNJWEJPSA-NSynonyms
CCC1=CC=CC2=C1N(C=C2C=C3C(=O)NC(=S)N(C3=O)CCOC)CC(=O)N(CC)CC
COCCN1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3CC)CC(=O)N(CC)CC)C1=O
InChI=1SC24H30N4O4Sc151698101817(1427(21(16)18)1520(29)26(62)73)131922(30)2524(33)28(23(19)31)1112324h8101314H57111215H214H3(H253033)b1913+
MFCD28951785
NNdiethyl2(7ethyl3((E)(1(2methoxyethyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)indol1yl)acetamide
NNdiethyl2(7ethyl3((E)(1(2methoxyethyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetamide
ZINC000098086256
ZINC98086256
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