Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK832691
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)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 C27H25ClN2O2S MW 477.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O2S/c1-2-15-30-25(32)23-24(21-8-4-3-7-19(21)16-27(23)13-5-6-14-27)29-26(30)33-17-22(31)18-9-11-20(28)12-10-18/h2-4,7-12H,1,5-6,13-17H2InChIKey
ATUZEBOKNLMAMP-UHFFFAOYSA-NSynonyms
316360-04-02((2(4chlorophenyl)2oxoethyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
316360040
3ALLYL2((2(4CHLOROPHENYL)2OXOETHYL)SULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3allyl2((2(4chlorophenyl)2oxoethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Cl
InChI=1SC27H25ClN2O2Sc12153025(32)2324(21843719(21)1627(23)13561427)2926(30)331722(31)1891120(28)121018h24712H1561317H2
MFCD01175056
ZINC000002095465
ZINC02095465
ZINC2095465
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