Vitas-M small molecule compound

2-{[(2-hydroxyethyl)sulfanyl]methyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK832925
SMILES OCCSCc1nc2c3ccccc3CC3(c2c(=O)[nH]1)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 C20H24N2O2S MW 356.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O2S/c23-10-11-25-13-16-21-18-15-7-3-2-6-14(15)12-20(8-4-1-5-9-20)17(18)19(24)22-16/h2-3,6-7,23H,1,4-5,8-13H2,(H,21,22,24)
InChIKey
YGQSRMCWOCEYQN-UHFFFAOYSA-N
Synonyms

2(((2hydroxyethyl)sulfanyl)methyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(((2hydroxyethyl)thio)methyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSCCO
InChI=1SC20H24N2O2Sc231011251316211815732614(15)1220(8415920)17(18)19(24)2216h236723H145813H2(H212224)
MFCD00374925
OCCSCc1nc2c3ccccc3CC3(c2c(=O)(nH)1)CCCCC3

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.