Vitas-M small molecule compound

N-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]histidine

Catalog ID
STK571459
SMILES OC(=O)C(Cc1c[nH]cn1)NC=C1C(=O)N(C)C(=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 C13H15N5O5 MW 321.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O5/c1-17-10(19)8(11(20)18(2)13(17)23)5-15-9(12(21)22)3-7-4-14-6-16-7/h4-6,9,15H,3H2,1-2H3,(H,14,16)(H,21,22)
InChIKey
BFLAZNTZHDJQHM-UHFFFAOYSA-N
Synonyms

2(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3(1Himidazol4yl)propanoicacid
2((13dimethyl246trioxo13diazinan5ylidene)methylamino)3(1Himidazol5yl)propanoicacid
CN1C(=O)C(=CNC(CC2=CN=CN2)C(=O)O)C(=O)N(C1=O)C
InChI=1SC13H15N5O5c11710(19)8(11(20)18(2)13(17)23)5159(12(21)22)374146167h46915H3H212H3(H1416)(H2122)
MFCD07638425
N((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)histidine
OC(=O)C(Cc1c(nH)cn1)NC=C1C(=O)N(C)C(=O)N(C1=O)C
ZINC000020567519
ZINC000020567520

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Available files

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