Vitas-M small molecule compound

methyl 3-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4-methylbenzoate

Catalog ID
STK175164
SMILES COC(=O)c1ccc(c(c1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)NC1=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/c1-10-5-6-13(19(26)28-4)9-16(10)23-11(2)7-14(12(23)3)8-15-17(24)21-20(27)22-18(15)25/h5-9H,1-4H3,(H2,21,22,24,25,27)
InChIKey
OKESEPBHBCPSCN-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C
InChI=1SC20H19N3O5c1105613(19(26)284)916(10)2311(2)714(12(23)3)81517(24)2120(27)2218(15)25h59H14H3(H22122242527)
METHYL3(25DIMETHYL3((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)4METHYLBENZOATE
METHYL3(25DIMETHYL3((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)4METHYLBENZOATE
MFCD03716603
ZINC000001114854
ZINC01114854
ZINC1114854

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Available files

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