Vitas-M small molecule compound

N,N-diethyl-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide

Catalog ID
STK546595
SMILES CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3)CC

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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 C27H35N3O2S MW 465.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O2S/c1-5-29(6-2)22(31)18-33-26-28-24-21-13-9-8-12-20(21)16-27(14-10-7-11-15-27)23(24)25(32)30(26)17-19(3)4/h8-9,12-13H,3,5-7,10-11,14-18H2,1-2,4H3
InChIKey
WQHVHDFXUSTGFH-UHFFFAOYSA-N
Synonyms
488732-59-8
488732598
CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC27H35N3O2Sc1529(62)22(31)18332628242113981220(21)1627(14107111527)23(24)25(32)30(26)1719(3)4h891213H35710111418H2124H3
MFCD03291883
NNdiethyl2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
NNdiethyl2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
NNDIETHYL2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002339137
ZINC02339137
ZINC2339137

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Available files

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