Vitas-M small molecule compound
2-(2-{3-[5-(2-methylpropyl)-1H-pyrazol-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK631777
SMILES CC(Cc1[nH]nc(c1)c1nnc2n1nc(s2)CCN1C(=O)c2c(C1=O)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 C20H19N7O2S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N7O2S/c1-11(2)9-12-10-15(22-21-12)17-23-24-20-27(17)25-16(30-20)7-8-26-18(28)13-5-3-4-6-14(13)19(26)29/h3-6,10-11H,7-9H2,1-2H3,(H,21,22)InChIKey
KDLXWSCJGWYZDL-UHFFFAOYSA-NSynonyms
1192556-80-11192556801
2(2(3(3isobutyl1Hpyrazol5yl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)isoindoline13dione
2(2(3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)1Hisoindole13(2H)dione
2(2(3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)isoindole13dione
CC(C)CC1=CC(=NN1)C2=NN=C3N2N=C(S3)CCN4C(=O)C5=CC=CC=C5C4=O
CC(Cc1(nH)nc(c1)c1nnc2n1nc(s2)CCN1C(=O)c2c(C1=O)cccc2)C
CC(Cc1cc((nH)n1)c1nnc2n1nc(s2)CCN1C(=O)c2c(C1=O)cccc2)C
InChI=1SC20H19N7O2Sc111(2)9121015(222112)1723242027(17)2516(3020)782618(28)13534614(13)19(26)29h361011H79H212H3(H2122)
MFCD18159571
ZINC000012324066
ZINC12324066
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