Vitas-M small molecule compound
3-butyl-2-[(2,4-dichlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK547553
SMILES CCCCn1c(SCc2ccc(cc2Cl)Cl)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 C28H30Cl2N2OS MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30Cl2N2OS/c1-2-3-15-32-26(33)24-25(31-27(32)34-18-20-11-12-21(29)16-23(20)30)22-10-6-5-9-19(22)17-28(24)13-7-4-8-14-28/h5-6,9-12,16H,2-4,7-8,13-15,17-18H2,1H3InChIKey
PFNLFJRIDUTLQF-UHFFFAOYSA-NSynonyms
487037-46-73butyl2((24dichlorobenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((24dichlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2((24DICHLOROPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
487037467
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC28H30Cl2N2OSc123153226(33)2425(3127(32)341820111221(29)1623(20)30)221065919(22)1728(24)137481428h5691216H247813151718H21H3
MFCD03287402
ZINC000002322625
ZINC02322625
ZINC2322625
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