Vitas-M small molecule compound

ethyl {[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate

Catalog ID
STK805409
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(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 C28H36N2O4S MW 496.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4S/c1-4-33-22(31)18-35-26-29-24-21-11-7-6-10-19(21)16-28(13-8-5-9-14-28)23(24)25(32)30(26)20-12-15-34-27(2,3)17-20/h6-7,10-11,20H,4-5,8-9,12-18H2,1-3H3
InChIKey
YXORNVHWTWGVQO-UHFFFAOYSA-N
Synonyms
312585-24-3
312585243
CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52
ETHYL((3((4R)22DIMETHYLTETRAHYDRO2HPYRAN4YL)4OXO46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)ACETATE
ethyl((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((3(22dimethyltetrahydro2Hpyran4yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(3(22DIMETHYLOXAN4YL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC28H36N2O4Sc143322(31)18352629242111761019(21)1628(138591428)23(24)25(32)30(26)2012153427(23)1720h67101120H45891218H213H3
MFCD00688830
ZINC000001788491
ZINC000001788492

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Available files

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