Vitas-M small molecule compound
3-(2-methylpropyl)-2-sulfanyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL044005
SMILES CC(Cn1c(S)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C
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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 C21H26N2OS MW 354.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2OS/c1-14(2)13-23-19(24)17-18(22-20(23)25)16-9-5-4-8-15(16)12-21(17)10-6-3-7-11-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,25)InChIKey
GXZGEJAGMOCGCF-UHFFFAOYSA-NSynonyms
671770-12-03(2methylpropyl)2sulfanyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHYLPROPYL)2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(2METHYLPROPYL)2THIOXO23DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
671770120
CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)NC1=S
InChI=1SC21H26N2OSc114(2)132319(24)1718(2220(23)25)16954815(16)1221(17)106371121h458914H3671013H212H3(H2225)
MFCD03796737
ZINC000002252801
ZINC02252801
ZINC2252801
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