Vitas-M small molecule compound

2-[(butoxymethyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK028378
SMILES CCCCOCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)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 C26H34N2O2S MW 438.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O2S/c1-4-5-15-30-18-31-25-27-23-21-12-8-7-11-20(21)16-26(13-9-6-10-14-26)22(23)24(29)28(25)17-19(2)3/h7-8,11-12H,2,4-6,9-10,13-18H2,1,3H3
InChIKey
XJRDXTOFQNKYIF-UHFFFAOYSA-N
Synonyms

2((BUTOXYMETHYL)SULFANYL)3(2METHYLPROP2EN1YL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2((butoxymethyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(BUTOXYMETHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCOCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42
CCCCOCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
InChI=1SC26H34N2O2Sc145153018312527232112871120(21)1626(1396101426)22(23)24(29)28(25)1719(2)3h781112H2469101318H213H3
MFCD01558975
STK028378
ZINC000002293254
ZINC02293254
ZINC2293254

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Available files

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