Vitas-M small molecule compound
3-butyl-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK936171
SMILES CCCCn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2c(c1=O)C1(CCCC1)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 C31H30N2O4S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4S/c1-2-3-16-33-28(35)26-27(22-12-6-4-11-21(22)18-31(26)14-8-9-15-31)32-30(33)38-19-24(34)23-17-20-10-5-7-13-25(20)37-29(23)36/h4-7,10-13,17H,2-3,8-9,14-16,18-19H2,1H3InChIKey
NUPUFYPBNBWCPC-UHFFFAOYSA-NSynonyms
842974-83-83butyl2((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3butyl2((2oxo2(2oxo2Hchromen3yl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3BUTYL2(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
842974838
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC6=CC=CC=C6OC5=O
InChI=1SC31H30N2O4Sc123163328(35)2627(2212641121(22)1831(26)14891531)3230(33)381924(34)23172010571325(20)3729(23)36h47101317H238914161819H21H3
MFCD04162595
ZINC000002407499
ZINC02407499
ZINC2407499
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