Vitas-M small molecule compound
3-(2-methylphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL441034
SMILES O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
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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 C30H28N2O2S2 MW 512.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O2S2/c1-20-10-3-6-13-23(20)32-28(34)26-27(31-29(32)36-19-24(33)25-14-9-17-35-25)22-12-5-4-11-21(22)18-30(26)15-7-2-8-16-30/h3-6,9-14,17H,2,7-8,15-16,18-19H2,1H3InChIKey
ZLPYGWRCKOSYNB-UHFFFAOYSA-NSynonyms
3(2methylphenyl)2((2oxo2(thiophen2yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHYLPHENYL)2(2OXO2THIOPHEN2YLETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CS6
InChI=1SC30H28N2O2S2c12010361323(20)3228(34)2627(3129(32)361924(33)25149173525)2212541121(22)1830(26)157281630h3691417H27815161819H21H3
MFCD06239669
ZINC000008769579
ZINC08769579
ZINC8769579
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