Vitas-M small molecule compound
propan-2-yl 4-(7-cyano-6-oxo-8-phenyl-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
Catalog ID
STK898888
SMILES N#Cc1c(nc2n(c1=O)CN(CS2)c1ccc(cc1)C(=O)OC(C)C)c1ccccc1
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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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-15(2)30-22(29)17-8-10-18(11-9-17)26-13-27-21(28)19(12-24)20(25-23(27)31-14-26)16-6-4-3-5-7-16/h3-11,15H,13-14H2,1-2H3InChIKey
GDYKAASQTPFSGQ-UHFFFAOYSA-NSynonyms
951975-86-3951975863
CC(C)OC(=O)C1=CC=C(C=C1)N2CN3C(=O)C(=C(N=C3SC2)C4=CC=CC=C4)C#N
InChI=1SC23H20N4O3Sc115(2)3022(29)1781018(11917)26132721(28)19(1224)20(2523(27)311426)166435716h31115H1314H212H3
isopropyl4(7cyano6oxo8phenylpyrimido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
MFCD09852989
propan2yl4(7cyano6oxo8phenyl24dihydropyrimido(21b)(135)thiadiazin3yl)benzoate
propan2yl4(7cyano6oxo8phenyl2H6Hpyrimido(21b)(135)thiadiazin3(4H)yl)benzoate
ZINC000013691915
ZINC13691915
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