Vitas-M small molecule compound

3-(4-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK937078
SMILES COc1ccc(cc1)n1c(SCC(=O)c2cccs2)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 C30H28N2O3S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O3S2/c1-35-22-13-11-21(12-14-22)32-28(34)26-27(31-29(32)37-19-24(33)25-10-7-17-36-25)23-9-4-3-8-20(23)18-30(26)15-5-2-6-16-30/h3-4,7-14,17H,2,5-6,15-16,18-19H2,1H3
InChIKey
HRNMYLAMSAYEKO-UHFFFAOYSA-N
Synonyms
847916-10-3
3(4methoxyphenyl)2((2oxo2(thiophen2yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methoxyphenyl)2((2oxo2(thiophen2yl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2(2OXO2THIOPHEN2YLETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
847916103
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CS6
InChI=1SC30H28N2O3S2c13522131121(121422)3228(34)2627(3129(32)371924(33)25107173625)23943820(23)1830(26)155261630h3471417H25615161819H21H3
MFCD04186118
ZINC000002419738
ZINC2419738

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Available files

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