Vitas-M small molecule compound
3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK774978
SMILES COc1cccc(c1)n1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
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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 C26H28N2O2S MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O2S/c1-17(2)31-25-27-23-21-12-5-4-9-18(21)16-26(13-6-7-14-26)22(23)24(29)28(25)19-10-8-11-20(15-19)30-3/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3InChIKey
PADDORSABPFZPB-UHFFFAOYSA-NSynonyms
489401-25-42(isopropylthio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3methoxyphenyl)2(propan2ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHOXYPHENYL)2PROPAN2YLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
489401254
CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC26H28N2O2Sc117(2)31252723211254918(21)1626(13671426)22(23)24(29)28(25)191081120(1519)303h458121517H67131416H213H3
MFCD03295897
ZINC000001906268
ZINC01906268
ZINC1906268
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