Vitas-M small molecule compound
ethyl 7,8-dicyano-2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
Catalog ID
STL435611
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c1cc(C#N)c(cc1s2)C#N
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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 C22H16N4O2S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O2S/c1-3-28-21(27)19-13(2)25-22-26(20(19)14-7-5-4-6-8-14)17-9-15(11-23)16(12-24)10-18(17)29-22/h4-10,20H,3H2,1-2H3InChIKey
LYFRHYDRYBHKLP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C4=C(S2)C=C(C(=C4)C#N)C#N)C
ethyl78dicyano2methyl4phenyl4Hpyrimido(21b)(13)benzothiazole3carboxylate
InChI=1SC22H16N4O2Sc132821(27)1913(2)252226(20(19)147546814)17915(1123)16(1224)1018(17)2922h41020H3H212H3
MFCD25975691
ZINC000066089287
ZINC000066089289
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