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}benzoate
Catalog ID
STK036022
SMILES COC(=O)c1ccc(cc1)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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-11-9-14(10-16-17(24)21-20(27)22(3)18(16)25)12(2)23(11)15-7-5-13(6-8-15)19(26)28-4/h5-10H,1-4H3,(H,21,24,27)/b16-10-InChIKey
DWCZQBRKWMVRFX-YBEGLDIGSA-NSynonyms
428847-17-0428847170
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=O)N(C3=O)C
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C
InChI=1SC20H19N3O5c111914(101617(24)2120(27)22(3)18(16)25)12(2)23(11)157513(6815)19(26)284h510H14H3(H212427)b1610
METHYL4(25DIMETHYL3((Z)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((Z)(1METHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD08050468
STK036022
ZINC000013942049
ZINC13942049
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