Vitas-M small molecule compound

4-[(Z)-(1-tert-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzoic acid

Catalog ID
STL330184
SMILES OC(=O)c1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)C(C)(C)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 C16H16N2O5 MW 316.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5/c1-16(2,3)18-13(20)11(12(19)17-15(18)23)8-9-4-6-10(7-5-9)14(21)22/h4-8H,1-3H3,(H,21,22)(H,17,19,23)/b11-8-
InChIKey
GLDAPOWTYAVXFV-FLIBITNWSA-N
Synonyms

(Z)4((1(tertbutyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
4((Z)(1TERTBUTYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOICACID
4((Z)(1tertbutyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
BENZOICACID4(1TERTBUTYL246TRIOXOTETRAHYDROPYRIMIDIN5YLIDENEMETHYL)
CC(C)(C)N1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC1=O
InChI=1SC16H16N2O5c116(23)1813(20)11(12(19)1715(18)23)894610(759)14(21)22h48H13H3(H2122)(H171923)b118
MFCD01951302
OC(=O)c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)C(C)(C)C
ZINC000004860353
ZINC4860353

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Available files

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