Vitas-M small molecule compound

5-ethyl-5-methyl-3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Catalog ID
STK548946
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SC(C)C)CCc1ccccc1

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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 C26H30N2OS MW 418.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2OS/c1-5-26(4)17-20-13-9-10-14-21(20)23-22(26)24(29)28(25(27-23)30-18(2)3)16-15-19-11-7-6-8-12-19/h6-14,18H,5,15-17H2,1-4H3
InChIKey
WZYBEVXQAXQAFD-UHFFFAOYSA-N
Synonyms
799777-65-4
(5R)5ETHYL5METHYL3(2PHENYLETHYL)2(PROPAN2YLSULFANYL)56DIHYDROBENZO(H)QUINAZOLIN4(3H)ONE
5ethyl2(isopropylthio)5methyl3phenethyl56dihydrobenzo(h)quinazolin4(3H)one
5ethyl5methyl3(2phenylethyl)2(propan2ylsulfanyl)56dihydrobenzo(h)quinazolin4(3H)one
5ethyl5methyl3(2phenylethyl)2propan2ylsulfanyl6Hbenzo(h)quinazolin4one
5ETHYL5METHYL3PHENETHYL2PROPAN2YLSULFANYL6HBENZO(H)QUINAZOLIN4ONE
799777654
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC(C)C)CCC4=CC=CC=C4)C
InChI=1SC26H30N2OSc1526(4)1720139101421(20)2322(26)24(29)28(25(2723)3018(2)3)161519117681219h61418H51517H214H3
MFCD03673270
ZINC000002209877
ZINC000002209879

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Available files

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