Vitas-M small molecule compound

methyl 4-{2,5-dimethyl-3-[(Z)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate

Catalog ID
STK190048
SMILES COC(=O)c1ccc(cc1)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-11-9-14(10-16-17(24)21-20(28)22(3)18(16)25)12(2)23(11)15-7-5-13(6-8-15)19(26)27-4/h5-10H,1-4H3,(H,21,24,28)/b16-10-
InChIKey
ZMADKXRBZFBKCR-YBEGLDIGSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N(C3=O)C
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC20H19N3O4Sc111914(101617(24)2120(28)22(3)18(16)25)12(2)23(11)157513(6815)19(26)274h510H14H3(H212428)b1610
METHYL4(25DIMETHYL3((Z)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((Z)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD03226769
ZINC000015012651
ZINC15012651

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Available files

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