Vitas-M small molecule compound

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

Catalog ID
STK548546
SMILES C=CCn1c(SCC(=O)N(CC)CC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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/c1-4-16-29-24(31)22-23(27-25(29)32-18-21(30)28(5-2)6-3)20-13-9-8-12-19(20)17-26(22)14-10-7-11-15-26/h4,8-9,12-13H,1,5-7,10-11,14-18H2,2-3H3
InChIKey
YPEIZVWVYQUYDQ-UHFFFAOYSA-N
Synonyms
488724-58-9
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)NNdiethylacetamide
488724589
CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC26H33N3O2Sc14162924(31)2223(2725(29)321821(30)28(52)63)2013981219(20)1726(22)14107111526h4891213H15710111418H223H3
MFCD03291444
NNdiethyl2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
NNDIETHYL2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002337837
ZINC02337837
ZINC2337837

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Available files

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