Vitas-M small molecule compound
(5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL054567
SMILES O=C1NC(=O)/C(=C(\Nc2cccc(c2)N/C(=C\2/C(=NC(=NC2=O)O)O)/C)/C)/C(=N1)O
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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 C18H16N6O6 MW 412.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O6/c1-7(11-13(25)21-17(29)22-14(11)26)19-9-4-3-5-10(6-9)20-8(2)12-15(27)23-18(30)24-16(12)28/h3-6,19-20H,1-2H3,(H2,21,22,25,26,29)(H2,23,24,27,28,30)InChIKey
GJDXRGLKZRFNGE-UHFFFAOYSA-NSynonyms
(5Z)5(1((3(((1Z)1(26dihydroxy4oxopyrimidin5(4H)ylidene)ethyl)amino)phenyl)amino)ethylidene)6hydroxypyrimidine24(3H5H)dione
5(1(3(1(246TRIOXO13DIAZINAN5YLIDENE)ETHYLAMINO)ANILINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)NC1=O)NC2=CC(=CC=C2)NC(=C3C(=O)NC(=O)NC3=O)C
InChI=1SC18H16N6O6c17(1113(25)2117(29)2214(11)26)19943510(69)208(2)1215(27)2318(30)2416(12)28h361920H12H3(H22122252629)(H22324272830)
MFCD05731718
O=C1NC(=O)C(=C(Nc2cccc(c2)NC(=C2C(=NC(=NC2=O)O)O)C)C)C(=N1)O
ZINC000009460938
ZINC09460938
ZINC9460938
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