Vitas-M small molecule compound
2-(butylsulfanyl)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK832864
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCCC3
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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 C28H38N2OS MW 450.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2OS/c1-2-3-18-32-27-29-25-23-15-9-8-14-22(23)19-28(16-10-5-11-17-28)24(25)26(31)30(27)20-21-12-6-4-7-13-21/h8-9,14-15,21H,2-7,10-13,16-20H2,1H3InChIKey
PPHAYYAFPDWPDE-UHFFFAOYSA-NSynonyms
329219-05-82(butylsulfanyl)3(cyclohexylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(BUTYLSULFANYL)3(CYCLOHEXYLMETHYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
2(butylthio)3(cyclohexylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(CYCLOHEXYLMETHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2BUTYLTHIO3(CYCLOHEXYLMETHYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
329219058
CCCCSC1=NC2=C(C(=O)N1CC3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H38N2OSc12318322729252315981422(23)1928(16105111728)24(25)26(31)30(27)2021126471321h89141521H2710131620H21H3
MFCD00688856
ZINC000002069124
ZINC02069124
ZINC2069124
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