Vitas-M small molecule compound

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

Catalog ID
STK544385
SMILES COc1cccc(c1)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)13-16-33-27-29-25-23-12-5-4-9-20(23)18-28(14-6-7-15-28)24(25)26(31)30(27)21-10-8-11-22(17-21)32-3/h4-5,8-12,17,19H,6-7,13-16,18H2,1-3H3
InChIKey
VGPIFZQBFBOBPW-UHFFFAOYSA-N
Synonyms
498537-98-7
2(isopentylthio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3methoxyphenyl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHOXYPHENYL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
498537987
CC(C)CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc119(2)131633272925231254920(23)1828(14671528)24(25)26(31)30(27)211081122(1721)323h458121719H67131618H213H3
MFCD03301856
ZINC000002349146
ZINC02349146
ZINC2349146

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Available files

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