Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK833226
SMILES C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3
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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 C27H26N2O2S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2S/c1-3-17-32-26-28-24-22-10-6-5-9-19(22)18-27(15-7-4-8-16-27)23(24)25(30)29(26)20-11-13-21(31-2)14-12-20/h1,5-6,9-14H,4,7-8,15-18H2,2H3InChIKey
YZSOSKAUPLGZRA-UHFFFAOYSA-NSynonyms
331961-91-23(4METHOXYPHENYL)2(2PROPYNYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3(4methoxyphenyl)2(prop2yn1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methoxyphenyl)2(prop2yn1ylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2PROP2YNYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
331961912
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C
InChI=1SC27H26N2O2Sc131732262824221065919(22)1827(157481627)23(24)25(30)29(26)20111321(312)141220h156914H4781518H22H3
MFCD01175001
ZINC000002117663
ZINC02117663
ZINC2117663
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