Vitas-M small molecule compound
6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-[5-(2-methylpropyl)-1H-pyrazol-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK641870
SMILES CC(Cc1[nH]nc(c1)c1nnc2n1nc(s2)C1COc2c(O1)cccc2)C
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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 C18H18N6O2S MW 382.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O2S/c1-10(2)7-11-8-12(20-19-11)16-21-22-18-24(16)23-17(27-18)15-9-25-13-5-3-4-6-14(13)26-15/h3-6,8,10,15H,7,9H2,1-2H3,(H,19,20)InChIKey
GHQYDEKGMVXACT-UHFFFAOYSA-NSynonyms
1107054-35-21107054352
6(23DIHYDRO14BENZODIOXIN2YL)3(3ISOBUTYL1HPYRAZOL5YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(23dihydro14benzodioxin2yl)3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazole
6(23dihydro14benzodioxin3yl)3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazole
6(23dihydrobenzo(b)(14)dioxin2yl)3(3isobutyl1Hpyrazol5yl)(124)triazolo(34b)(134)thiadiazole
CC(C)CC1=CC(=NN1)C2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4
CC(Cc1(nH)nc(c1)c1nnc2n1nc(s2)C1COc2c(O1)cccc2)C
CC(Cc1n(nH)c(c1)c1nnc2n1nc(s2)C1COc2c(O1)cccc2)C
InChI=1SC18H18N6O2Sc110(2)711812(201911)1621221824(16)2317(2718)1592513534614(13)2615h3681015H79H212H3(H1920)
MFCD18162783
ZINC000012321810
ZINC000012321811
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