Vitas-M small molecule compound
2-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STK543436
SMILES COc1ccc(cc1)n1c(SC/C=C(\Cl)/C)nc2c(c1=O)cccc2
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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 C19H17ClN2O2S MW 372.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O2S/c1-13(20)11-12-25-19-21-17-6-4-3-5-16(17)18(23)22(19)14-7-9-15(24-2)10-8-14/h3-11H,12H2,1-2H3/b13-11-InChIKey
YPXNGEBFXABOCD-QBFSEMIESA-NSynonyms
500195-41-5(Z)2((3chlorobut2en1yl)thio)3(4methoxyphenyl)quinazolin4(3H)one
2(((2Z)3chlorobut2en1yl)sulfanyl)3(4methoxyphenyl)quinazolin4(3H)one
2((Z)3CHLOROBUT2ENYL)SULFANYL3(4METHOXYPHENYL)QUINAZOLIN4ONE
500195415
CC(=CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)Cl
COc1ccc(cc1)n1c(SCC=C(Cl)C)nc2c(c1=O)cccc2
InChI=1SC19H17ClN2O2Sc113(20)111225192117643516(17)18(23)22(19)147915(242)10814h311H12H212H3b1311
MFCD03304887
ZINC000001247429
ZINC01247429
ZINC1247429
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