Vitas-M small molecule compound

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

Catalog ID
STK542332
SMILES O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3)NCc1ccco1

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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 C32H33N3O3S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O3S/c36-27(33-21-25-13-9-19-38-25)22-39-31-34-29-26-14-6-5-12-24(26)20-32(16-7-2-8-17-32)28(29)30(37)35(31)18-15-23-10-3-1-4-11-23/h1,3-6,9-14,19H,2,7-8,15-18,20-22H2,(H,33,36)
InChIKey
CUAHLBVMXTVABC-UHFFFAOYSA-N
Synonyms
488854-29-1
488854291
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NCC5=CC=CO5)CCC6=CC=CC=C6
InChI=1SC32H33N3O3Sc3627(332125139193825)22393134292614651224(26)2032(167281732)28(29)30(37)35(31)181523103141123h13691419H27815182022H2(H3336)
MFCD03294864
N(furan2ylmethyl)2((4oxo3(2phenylethyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(furan2ylmethyl)2((4oxo3phenethyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(furan2ylmethyl)2(4oxo3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)2yl)sulfanylacetamide
N(FURAN2YLMETHYL)2(4OXO3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001783934
ZINC01783934
ZINC1783934

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Available files

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