Vitas-M small molecule compound

2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK057273
SMILES O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)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 C31H28N2O2S MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O2S/c34-26(22-12-4-1-5-13-22)21-36-30-32-28-25-17-9-8-14-23(25)20-31(18-10-3-11-19-31)27(28)29(35)33(30)24-15-6-2-7-16-24/h1-2,4-9,12-17H,3,10-11,18-21H2
InChIKey
IIDAVEXDZARDTC-UHFFFAOYSA-N
Synonyms
337496-08-9
2((2OXO2PHENYLETHYL)SULFANYL)3PHENYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2((2oxo2phenylethyl)thio)3phenyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2OXO2PHENYLETHYLTHIO)3PHENYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2PHENACYLSULFANYL3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
337496089
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC31H28N2O2Sc3426(22124151322)21363032282517981423(25)2031(18103111931)27(28)29(35)33(30)24156271624h12491217H310111821H2
MFCD01559255
O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK057273
ZINC000002254751
ZINC02254751
ZINC2254751

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Available files

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