Vitas-M small molecule compound
methyl 3-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoate
Catalog ID
STK190069
SMILES COC(=O)c1cccc(c1C)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-11-9-14(10-16-18(25)22-21(29)23(4)19(16)26)13(3)24(11)17-8-6-7-15(12(17)2)20(27)28-5/h6-10H,1-5H3,(H,22,25,29)/b16-10+InChIKey
NLPJDHBFXMSZRR-MHWRWJLKSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)C
COC(=O)c1cccc(c1C)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC21H21N3O4Sc111914(101618(25)2221(29)23(4)19(16)26)13(3)24(11)1786715(12(17)2)20(27)285h610H15H3(H222529)b1610+
METHYL3(25DIMETHYL3((1METHYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)2METHYLBENZOATE
METHYL3(25DIMETHYL3((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)2METHYLBENZOATE
METHYL3(25DIMETHYL3((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)2METHYLBENZOATE
MFCD03079004
ZINC000000980549
ZINC00980549
ZINC980549
Check stock
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Check stock on Vitas-MAvailable files
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