Vitas-M small molecule compound
2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STL308171
SMILES COc1ccc(cc1CSc1nc2c(s1)cccc2)C1Nc2ccccc2C(=O)N1c1ccc(cc1)F
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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 C29H22FN3O2S2 MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O2S2/c1-35-25-15-10-18(16-19(25)17-36-29-32-24-8-4-5-9-26(24)37-29)27-31-23-7-3-2-6-22(23)28(34)33(27)21-13-11-20(30)12-14-21/h2-16,27,31H,17H2,1H3InChIKey
YQBXYWLPKCSSAP-UHFFFAOYSA-NSynonyms
2(3((13benzothiazol2ylsulfanyl)methyl)4methoxyphenyl)3(4fluorophenyl)23dihydroquinazolin4(1H)one
2(3((benzo(d)thiazol2ylthio)methyl)4methoxyphenyl)3(4fluorophenyl)23dihydroquinazolin4(1H)one
2(3(13BENZOTHIAZOL2YLSULFANYLMETHYL)4METHOXYPHENYL)3(4FLUOROPHENYL)12DIHYDROQUINAZOLIN4ONE
COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CSC5=NC6=CC=CC=C6S5
InChI=1SC29H22FN3O2S2c13525151018(1619(25)1736293224845926(24)3729)273123732622(23)28(34)33(27)21131120(30)121421h2162731H17H21H3
MFCD01958763
ZINC000002288182
ZINC000002288183
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