Vitas-M small molecule compound
4,7-diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(3-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Catalog ID
STK780126
SMILES N#CC1=C(N)Oc2c(C1c1cccc(c1)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/c22-15-7-2-1-4-12(15)10-30-21-27-18(25)17-16(11-5-3-6-13(23)8-11)14(9-24)19(26)29-20(17)28-21/h1-8,16H,10,26H2,(H2,25,27,28)InChIKey
JGJXBTJPZHFYFZ-UHFFFAOYSA-NSynonyms
47diamino2((2chlorobenzyl)sulfanyl)5(3fluorophenyl)5Hpyrano(23d)pyrimidine6carbonitrile
47DIAMINO2((2CHLOROPHENYL)METHYLSULFANYL)5(3FLUOROPHENYL)5HPYRANO(23D)PYRIMIDINE6CARBONITRILE
C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC(=CC=C4)F)N)Cl
InChI=1SC21H15ClFN5OSc2215721412(15)1030212718(25)1716(1153613(23)811)14(924)19(26)2920(17)2821h1816H1026H2(H2252728)
MFCD05859770
ZINC000001430779
ZINC000001430780
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