Vitas-M small molecule compound

4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

Catalog ID
STK780127
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c(N)nc(n2)SCc1ccccc1Cl

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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 C21H15ClFN5OS MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClFN5OS/c22-15-4-2-1-3-12(15)10-30-21-27-18(25)17-16(11-5-7-13(23)8-6-11)14(9-24)19(26)29-20(17)28-21/h1-8,16H,10,26H2,(H2,25,27,28)
InChIKey
PPGRKLAFOSIMLB-UHFFFAOYSA-N
Synonyms

47diamino2((2chlorobenzyl)sulfanyl)5(4fluorophenyl)5Hpyrano(23d)pyrimidine6carbonitrile
47DIAMINO2((2CHLOROPHENYL)METHYLSULFANYL)5(4FLUOROPHENYL)5HPYRANO(23D)PYRIMIDINE6CARBONITRILE
C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC=C(C=C4)F)N)Cl
InChI=1SC21H15ClFN5OSc2215421312(15)1030212718(25)1716(115713(23)8611)14(924)19(26)2920(17)2821h1816H1026H2(H2252728)
MFCD05859771
ZINC000001430781
ZINC000001430782

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Available files

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