Vitas-M small molecule compound
4-(3-methylphenyl)-1-[(2-phenoxyethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526233
SMILES Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1
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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 C33H32N4O2S MW 548.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O2S/c1-23-11-10-13-25(21-23)36-30(38)28-29(27-16-7-6-12-24(27)22-33(28)17-8-3-9-18-33)37-31(36)34-35-32(37)40-20-19-39-26-14-4-2-5-15-26/h2,4-7,10-16,21H,3,8-9,17-20,22H2,1H3InChIKey
JTPQZCJRVXYYAF-UHFFFAOYSA-NSynonyms
374548-45-51((2phenoxyethyl)thio)4(mtolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374548455
4(3methylphenyl)1((2phenoxyethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCCOC7=CC=CC=C7
InChI=1SC33H32N4O2Sc12311101325(2123)3630(38)2829(2716761224(27)2233(28)178391833)3731(36)343532(37)4020193926144251526h247101621H389172022H21H3
MFCD01956484
ZINC000097950353
ZINC97950353
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