Vitas-M small molecule compound
3-(2-chlorophenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-one
Catalog ID
STK179557
SMILES O=c1n(c(CSc2ncnc3c2nc[nH]3)nc2c1cccc2)c1ccccc1Cl
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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 C20H13ClN6OS MW 420.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN6OS/c21-13-6-2-4-8-15(13)27-16(26-14-7-3-1-5-12(14)20(27)28)9-29-19-17-18(23-10-22-17)24-11-25-19/h1-8,10-11H,9H2,(H,22,23,24,25)InChIKey
KJQLFFHRDREFOS-UHFFFAOYSA-NSynonyms
3(2CHLOROPHENYL)2((9HPURIN6YLSULFANYL)METHYL)QUINAZOLIN4(3H)ONE
3(2CHLOROPHENYL)2(7HPURIN6YLSULFANYLMETHYL)QUINAZOLIN4ONE
3(2CHLOROPHENYL)2(9HPURIN6YLSULFANYLMETHYL)3HQUINAZOLIN4ONE
3(2CHLOROPHENYL)2(PURIN6YLTHIOMETHYL)3HYDROQUINAZOLIN4ONE
C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl
InChI=1SC20H13ClN6OSc2113624815(13)2716(2614731512(14)20(27)28)929191718(23102217)24112519h181011H9H2(H22232425)
MFCD00642892
O=c1n(c(CSc2ncnc3c2nc(nH)3)nc2c1cccc2)c1ccccc1Cl
ZINC000018275801
ZINC18275801
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