Vitas-M small molecule compound
methyl 4-{2,5-dimethyl-3-[(Z)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-3-methylbenzoate
Catalog ID
STK081047
SMILES COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-11-8-14(20(27)29-5)6-7-17(11)24-12(2)9-15(13(24)3)10-16-18(25)22-21(28)23(4)19(16)26/h6-10H,1-5H3,(H,22,25,28)/b16-10-InChIKey
JDVLZTDNDAHTBN-YBEGLDIGSA-NSynonyms
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)NC(=O)N(C3=O)C
COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C
InChI=1SC21H21N3O5c111814(20(27)295)6717(11)2412(2)915(13(24)3)101618(25)2221(28)23(4)19(16)26h610H15H3(H222528)b1610
METHYL4(25DIMETHYL3((Z)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)3METHYLBENZOATE
METHYL4(25DIMETHYL3((Z)(1METHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)3METHYLBENZOATE
MFCD08679083
STK081047
ZINC000013893103
ZINC13893103
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