Vitas-M small molecule compound

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

Catalog ID
STK835310
SMILES COc1ccc(cc1)n1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)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 C29H34N2O2S MW 474.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O2S/c1-20(2)15-18-34-28-30-26-24-10-6-5-9-21(24)19-29(16-7-4-8-17-29)25(26)27(32)31(28)22-11-13-23(33-3)14-12-22/h5-6,9-14,20H,4,7-8,15-19H2,1-3H3
InChIKey
KZCVBMMLEXFACB-UHFFFAOYSA-N
Synonyms

2(isopentylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methoxyphenyl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2O2Sc120(2)151834283026241065921(24)1929(167481729)25(26)27(32)31(28)22111323(333)141222h5691420H4781519H213H3
MFCD01992968
ZINC000002295247
ZINC02295247
ZINC2295247

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Available files

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