Vitas-M small molecule compound
3-butyl-2-[(3-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK552015
SMILES CCCCn1c(SCc2cccc(c2)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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-3-4-17-31-27(32)25-26(30-28(31)33-20-22-12-10-11-21(2)18-22)24-14-7-6-13-23(24)19-29(25)15-8-5-9-16-29/h6-7,10-14,18H,3-5,8-9,15-17,19-20H2,1-2H3InChIKey
QSLHJAUWBRTCTE-UHFFFAOYSA-NSynonyms
799819-12-83butyl2((3methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2((3METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
799819128
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC(=C5)C
InChI=1SC29H34N2OSc134173127(32)2526(3028(31)33202212101121(2)1822)2414761323(24)1929(25)158591629h67101418H358915171920H212H3
MFCD03681750
ZINC000002234894
ZINC02234894
ZINC2234894
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