Vitas-M small molecule compound
3-ethyl-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK942987
SMILES CCn1c(SCC(=O)c2cc3ccccc3oc2=O)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 C30H28N2O4S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4S/c1-2-32-27(34)25-26(21-12-6-4-11-20(21)17-30(25)14-8-3-9-15-30)31-29(32)37-18-23(33)22-16-19-10-5-7-13-24(19)36-28(22)35/h4-7,10-13,16H,2-3,8-9,14-15,17-18H2,1H3InChIKey
XOAYZJIAAWZCNK-UHFFFAOYSA-NSynonyms
847855-95-23ethyl2((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ethyl2((2oxo2(2oxo2Hchromen3yl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ETHYL2(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
847855952
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC6=CC=CC=C6OC5=O
InChI=1SC30H28N2O4Sc123227(34)2526(2112641120(21)1730(25)148391530)3129(32)371823(33)22161910571324(19)3628(22)35h47101316H238914151718H21H3
MFCD04185298
ZINC000002408909
ZINC02408909
ZINC2408909
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