Vitas-M small molecule compound

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

Catalog ID
STK548589
SMILES COc1ccccc1n1c(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)14-17-33-27-29-25-21-11-5-4-10-20(21)18-28(15-8-9-16-28)24(25)26(31)30(27)22-12-6-7-13-23(22)32-3/h4-7,10-13,19H,8-9,14-18H2,1-3H3
InChIKey
YOJOPCPPQIAUHH-UHFFFAOYSA-N
Synonyms
488100-77-2
2(isopentylthio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(2methoxyphenyl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(2METHOXYPHENYL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
488100772
CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc119(2)1417332729252111541020(21)1828(15891628)24(25)26(31)30(27)2212671323(22)323h47101319H891418H213H3
MFCD03288518
ZINC000002327112
ZINC02327112
ZINC2327112

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Available files

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