Vitas-M small molecule compound
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805046
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCCC3)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 C29H40N2O2S MW 480.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O2S/c1-20(2)13-17-34-27-30-25-23-11-7-6-10-21(23)18-29(14-8-5-9-15-29)24(25)26(32)31(27)22-12-16-33-28(3,4)19-22/h6-7,10-11,20,22H,5,8-9,12-19H2,1-4H3InChIKey
RIUSRJSDGZTEOR-UHFFFAOYSA-NSynonyms
303966-87-23(22DIMETHYLOXAN4YL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(22dimethyltetrahydro2Hpyran4yl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(22dimethyltetrahydro2Hpyran4yl)2(isopentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
303966872
CC(C)CCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H40N2O2Sc120(2)1317342730252311761021(23)1829(148591529)24(25)26(32)31(27)2212163328(34)1922h6710112022H5891219H214H3
MFCD01807198
ZINC000002267604
ZINC000002267605
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