Vitas-M small molecule compound
4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK804948
SMILES O=c1n(C2CCOC(C2)(C)C)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)S
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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 C25H30N4O2S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S/c1-24(2)15-17(10-13-31-24)28-21(30)19-20(29-22(28)26-27-23(29)32)18-9-5-4-8-16(18)14-25(19)11-6-3-7-12-25/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3,(H,27,32)InChIKey
SDSOCAZDUZPPMI-UHFFFAOYSA-NSynonyms
337487-85-1337487851
4(22dimethyltetrahydro2Hpyran4yl)1mercapto4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(22dimethyltetrahydro2Hpyran4yl)1sulfanyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S)C
InChI=1SC25H30N4O2Sc124(2)1517(10133124)2821(30)1920(2922(28)262723(29)32)18954816(18)1425(19)116371225h458917H3671015H212H3(H2732)
MFCD01878171
ZINC000006232510
ZINC000006232544
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