Vitas-M small molecule compound
4,7-diamino-5-(3-bromophenyl)-2-[(2-chlorobenzyl)sulfanyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Catalog ID
STK780220
SMILES N#CC1=C(N)Oc2c(C1c1cccc(c1)Br)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 C21H15BrClN5OS MW 500.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrClN5OS/c22-13-6-3-5-11(8-13)16-14(9-24)19(26)29-20-17(16)18(25)27-21(28-20)30-10-12-4-1-2-7-15(12)23/h1-8,16H,10,26H2,(H2,25,27,28)InChIKey
UIDVBSOPTDOKLN-UHFFFAOYSA-NSynonyms
47diamino5(3bromophenyl)2((2chlorobenzyl)sulfanyl)5Hpyrano(23d)pyrimidine6carbonitrile
47DIAMINO5(3BROMOPHENYL)2((2CHLOROPHENYL)METHYLSULFANYL)5HPYRANO(23D)PYRIMIDINE6CARBONITRILE
C1=CC=C(C(=C1)CSC2=NC(=C3C(C(=C(OC3=N2)N)C#N)C4=CC(=CC=C4)Br)N)Cl
InChI=1SC21H15BrClN5OSc221363511(813)1614(924)19(26)292017(16)18(25)2721(2820)301012412715(12)23h1816H1026H2(H2252728)
MFCD05859999
ZINC000001430917
ZINC000001430918
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