Vitas-M small molecule compound
2-{(1E)-N-[N-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]ethanimidoyl}benzoic acid
Catalog ID
STK059376
SMILES N=C(/N=C(/c1ccccc1C(=O)O)\C)Nc1nc(C)c2c(n1)cc(c(c2)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 C21H21N5O2 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2/c1-11-9-17-14(4)24-21(25-18(17)10-12(11)2)26-20(22)23-13(3)15-7-5-6-8-16(15)19(27)28/h5-10H,1-4H3,(H,27,28)(H2,22,24,25,26)/b23-13+InChIKey
JOZGGLJJTCPDKM-YDZHTSKRSA-NSynonyms
332382-68-0(E)2(1((N(467trimethylquinazolin2yl)carbamimidoyl)imino)ethyl)benzoicacid
2((1E)3IMINO1METHYL3((467TRIMETHYLQUINAZOLIN2YL)AMINO)2AZAPROP1ENYL)BENZOICACID
2((1E)N(N(467TRIMETHYLQUINAZOLIN2YL)CARBAMIMIDOYL)ETHANIMIDOYL)BENZOICACID
2((E)CmethylN((E)N(467trimethylquinazolin2yl)carbamimidoyl)carbonimidoyl)benzoicacid
332382680
CC1=C(C=C2C(=C1)C(=NC(=N2)N=C(N)N=C(C)C3=CC=CC=C3C(=O)O)C)C
InChI=1SC21H21N5O2c11191714(4)2421(2518(17)1012(11)2)2620(22)2313(3)15756816(15)19(27)28h510H14H3(H2728)(H222242526)b2313+
MFCD01947930
N=C(N=C(c1ccccc1C(=O)O)C)Nc1nc(C)c2c(n1)cc(c(c2)C)C
STK059376
ZINC000033889309
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