Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK531396
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccccc1
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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 C33H30N4O3S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O3S/c1-40-25-16-14-24(15-17-25)36-30(39)28-29(26-13-7-6-12-23(26)20-33(28)18-8-3-9-19-33)37-31(36)34-35-32(37)41-21-27(38)22-10-4-2-5-11-22/h2,4-7,10-17H,3,8-9,18-21H2,1H3InChIKey
VDLGQQPBJDHFNX-UHFFFAOYSA-NSynonyms
4(4methoxyphenyl)1((2oxo2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(4methoxyphenyl)1((2oxo2phenylethyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)C7=CC=CC=C7
InChI=1SC33H30N4O3Sc14025161424(151725)3630(39)2829(2613761223(26)2033(28)188391933)3731(36)343532(37)412127(38)22104251122h2471017H3891821H21H3
MFCD02240488
ZINC000001744088
ZINC1744088
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