Vitas-M small molecule compound
propan-2-yl 4-[7-cyano-8-(furan-2-yl)-6-oxo-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Catalog ID
STK898889
SMILES N#Cc1c(nc2n(c1=O)CN(CS2)c1ccc(cc1)C(=O)OC(C)C)c1ccco1
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-13(2)29-20(27)14-5-7-15(8-6-14)24-11-25-19(26)16(10-22)18(17-4-3-9-28-17)23-21(25)30-12-24/h3-9,13H,11-12H2,1-2H3InChIKey
DBECPVDNLSLLFL-UHFFFAOYSA-NSynonyms
951981-78-5951981785
CC(C)OC(=O)C1=CC=C(C=C1)N2CN3C(=O)C(=C(N=C3SC2)C4=CC=CO4)C#N
InChI=1SC21H18N4O4Sc113(2)2920(27)145715(8614)24112519(26)16(1022)18(174392817)2321(25)301224h3913H1112H212H3
isopropyl4(7cyano8(furan2yl)6oxopyrimido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
MFCD09856872
propan2yl4(7cyano8(furan2yl)6oxo24dihydropyrimido(21b)(135)thiadiazin3yl)benzoate
propan2yl4(7cyano8(furan2yl)6oxo2H6Hpyrimido(21b)(135)thiadiazin3(4H)yl)benzoate
ZINC000013728107
ZINC13728107
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