Vitas-M small molecule compound
methyl N-{(E)-[1-(3-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Catalog ID
STK257547
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
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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 C24H22N4O5S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S/c1-32-16-7-5-6-15(11-16)28-22(30)18(21(29)27-24(28)34)13-26-20(23(31)33-2)10-14-12-25-19-9-4-3-8-17(14)19/h3-9,11-13,20,25-26H,10H2,1-2H3,(H,27,29,34)/b18-13+InChIKey
KKNRFTSTJZYYKP-QGOAFFKASA-NSynonyms
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
COC1=CC=CC(=C1)N2C(=O)C(=CNC(CC3=CNC4=CC=CC=C43)C(=O)OC)C(=O)NC2=S
InChI=1SC24H22N4O5Sc1321675615(1116)2822(30)18(21(29)2724(28)34)132620(23(31)332)1014122519943817(14)19h391113202526H10H212H3(H272934)b1813+
methyl3(1Hindol3yl)2(((E)(1(3methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)propanoate
methylN((E)(1(3methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)tryptophanate
MFCD04026480
ZINC000102550438
ZINC000102550443
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