Vitas-M small molecule compound
methyl 3-(3-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK000875
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)C(=O)OC)C)/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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-5-9-24-20(27)18(19(26)23-22(24)30)12-16-10-13(2)25(14(16)3)17-8-6-7-15(11-17)21(28)29-4/h5-8,10-12H,1,9H2,2-4H3,(H,23,26,30)/b18-12-InChIKey
JDKSYXFYNBAIJL-PDGQHHTCSA-NSynonyms
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC22H21N3O4Sc1592420(27)18(19(26)2322(24)30)12161013(2)25(14(16)3)1786715(1117)21(28)294h581012H19H224H3(H232630)b1812
METHYL3(3((Z)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((Z)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD08048995
STK000875
ZINC000019798215
ZINC19798215
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