Vitas-M small molecule compound
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL235973
SMILES OCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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 C26H28N2O3S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3S/c1-31-20-10-7-9-19(16-20)28-24(30)22-23(27-25(28)32-15-14-29)21-11-4-3-8-18(21)17-26(22)12-5-2-6-13-26/h3-4,7-11,16,29H,2,5-6,12-15,17H2,1H3InChIKey
ZNLLWNFBDVVOTO-UHFFFAOYSA-NSynonyms
824980-86-12((2hydroxyethyl)sulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2hydroxyethyl)thio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2HYDROXYETHYLSULFANYL)3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
824980861
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCO
InChI=1SC26H28N2O3Sc13120107919(1620)2824(30)2223(2725(28)32151429)211143818(21)1726(22)125261326h347111629H256121517H21H3
MFCD04184138
ZINC000009159823
ZINC09159823
ZINC9159823
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