Vitas-M small molecule compound
2-[(4-methylbenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK551858
SMILES CC(=C)Cn1c(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 C28H30N2OS MW 442.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2OS/c1-19(2)17-30-26(31)24-25(29-27(30)32-18-21-12-10-20(3)11-13-21)23-9-5-4-8-22(23)16-28(24)14-6-7-15-28/h4-5,8-13H,1,6-7,14-18H2,2-3H3InChIKey
RNCCOPQFVAJILX-UHFFFAOYSA-NSynonyms
836647-04-22((4methylbenzyl)sulfanyl)3(2methylprop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((4METHYLPHENYL)METHYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(2methylallyl)2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
836647042
CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53
InChI=1SC28H30N2OSc119(2)173026(31)2425(2927(30)321821121020(3)111321)23954822(23)1628(24)14671528h45813H1671418H223H3
MFCD03691894
ZINC000002253580
ZINC02253580
ZINC2253580
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