Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK524833
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Cl
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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 C33H29ClN4O3S MW 597.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN4O3S/c1-41-25-15-13-24(14-16-25)37-30(40)28-29(26-8-4-3-7-22(26)19-33(28)17-5-2-6-18-33)38-31(37)35-36-32(38)42-20-27(39)21-9-11-23(34)12-10-21/h3-4,7-16H,2,5-6,17-20H2,1H3InChIKey
HPQBMXXDWCGOSP-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2(4chlorophenyl)2oxoethyl)thio)4(4methoxyphenyl)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=C(C=C7)Cl
InChI=1SC33H29ClN4O3Sc14125151324(141625)3730(40)2829(26843722(26)1933(28)175261833)3831(37)353632(38)422027(39)2191123(34)121021h34716H2561720H21H3
MFCD01948086
ZINC000001852543
ZINC1852543
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