Vitas-M small molecule compound

3-(4-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK530715
SMILES COc1ccc(cc1)n1c(SCCC(C)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 C28H32N2O2S MW 460.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S/c1-19(2)14-17-33-27-29-25-23-9-5-4-8-20(23)18-28(15-6-7-16-28)24(25)26(31)30(27)21-10-12-22(32-3)13-11-21/h4-5,8-13,19H,6-7,14-18H2,1-3H3
InChIKey
YAXXEVBYSRVEHV-UHFFFAOYSA-N
Synonyms

2(isopentylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4methoxyphenyl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc119(2)14173327292523954820(23)1828(15671628)24(25)26(31)30(27)21101222(323)131121h4581319H671418H213H3
MFCD01992980
ZINC000002296722
ZINC02296722
ZINC2296722

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Available files

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