Vitas-M small molecule compound
2-(butylsulfanyl)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK004580
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC)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 C23H30N2OS MW 382.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2OS/c1-3-5-15-27-22-24-20-18-12-8-7-11-17(18)16-23(13-9-6-10-14-23)19(20)21(26)25(22)4-2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3InChIKey
NMSVOBFHODLYNF-UHFFFAOYSA-NSynonyms
330180-32-02(BUTYLSULFANYL)3ETHYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2(butylthio)3ethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3ETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2BUTYLTHIO3ETHYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
330180320
CCCCSC1=NC2=C(C(=O)N1CC)C3(CCCCC3)CC4=CC=CC=C42
CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCCC3
InChI=1SC23H30N2OSc13515272224201812871117(18)1623(1396101423)19(20)21(26)25(22)42h781112H369101316H212H3
MFCD01558123
STK004580
ZINC000002217696
ZINC02217696
ZINC2217696
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