Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK748689
SMILES COc1ccc(cc1)n1c(=S)[nH]c2c(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 C24H24N2O2S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O2S/c1-28-18-11-9-17(10-12-18)26-22(27)20-21(25-23(26)29)19-8-4-3-7-16(19)15-24(20)13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,25,29)InChIKey
UCKADYFFGYWCFA-UHFFFAOYSA-NSynonyms
5646-93-53(4METHOXYPHENYL)2SULFANYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(4METHOXYPHENYL)2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYPHENYL)2THIOXO23DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)NC2=S
COc1ccc(cc1)n1c(=S)(nH)c2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC24H24N2O2Sc1281811917(101218)2622(27)2021(2523(26)29)19843716(19)1524(20)135261424h34712H2561315H21H3(H2529)
MFCD00339003
ZINC01827251
ZINC1827251
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