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'-cyclopentan]-2-yl]sulfanyl}acetamide

Catalog ID
STK552977
SMILES CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3)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 C26H33N3O2S MW 451.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O2S/c1-5-28(6-2)21(30)17-32-25-27-23-20-12-8-7-11-19(20)15-26(13-9-10-14-26)22(23)24(31)29(25)16-18(3)4/h7-8,11-12H,3,5-6,9-10,13-17H2,1-2,4H3
InChIKey
IJYCXMCJWGTTSA-UHFFFAOYSA-N
Synonyms
799840-59-8
799840598
CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCC3)CC4=CC=CC=C42
InChI=1SC26H33N3O2Sc1528(62)21(30)17322527232012871119(20)1526(139101426)22(23)24(31)29(25)1618(3)4h781112H3569101317H2124H3
MFCD03686275
NNdiethyl2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
NNdiethyl2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
NNDIETHYL2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000002247822
ZINC02247822
ZINC2247822

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Available files

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