Vitas-M small molecule compound

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

Catalog ID
STK777081
SMILES CCCn1c(SCC(=O)OCC)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 C24H30N2O3S MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O3S/c1-3-14-26-22(28)20-21(25-23(26)30-16-19(27)29-4-2)18-11-7-6-10-17(18)15-24(20)12-8-5-9-13-24/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3
InChIKey
YVJFVYYCENXVEJ-UHFFFAOYSA-N
Synonyms
488708-67-4
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)OCC
ethyl((4oxo3propyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((4oxo3propyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(4OXO3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
Registry IDs
MFCD03290737
ZINC000002335883
ZINC02335883
ZINC2335883

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Available files

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