Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-[(4-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK549949
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C)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 C31H30N2O2S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O2S/c1-21-9-11-22(12-10-21)20-36-30-32-28-26-8-4-3-7-23(26)19-31(17-5-6-18-31)27(28)29(34)33(30)24-13-15-25(35-2)16-14-24/h3-4,7-16H,5-6,17-20H2,1-2H3InChIKey
XPKXJXNGMVRWRM-UHFFFAOYSA-NSynonyms
836633-38-63(4methoxyphenyl)2((4methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4methoxyphenyl)2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
836633386
CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC31H30N2O2Sc12191122(121021)203630322826843723(26)1931(17561831)27(28)29(34)33(30)24131525(352)161424h34716H561720H212H3
MFCD03689223
ZINC000009461927
ZINC09461927
ZINC9461927
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