Vitas-M small molecule compound
2-({3-[5-(2-methylpropyl)-1H-pyrazol-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK640639
SMILES CC(Cc1[nH]nc(c1)c1nnc2n1nc(s2)CN1C(=O)c2c(C1=O)cccc2)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H17N7O2S MW 407.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N7O2S/c1-10(2)7-11-8-14(21-20-11)16-22-23-19-26(16)24-15(29-19)9-25-17(27)12-5-3-4-6-13(12)18(25)28/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)InChIKey
LRQKUABHNSAAPR-UHFFFAOYSA-NSynonyms
1160100-93-51160100935
2((3(3isobutyl1Hpyrazol5yl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)isoindoline13dione
2((3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)1Hisoindole13(2H)dione
2((3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazol6yl)methyl)isoindole13dione
CC(C)CC1=CC(=NN1)C2=NN=C3N2N=C(S3)CN4C(=O)C5=CC=CC=C5C4=O
CC(Cc1(nH)nc(c1)c1nnc2n1nc(s2)CN1C(=O)c2c(C1=O)cccc2)C
CC(Cc1n(nH)c(c1)c1nnc2n1nc(s2)CN1C(=O)c2c(C1=O)cccc2)C
InChI=1SC19H17N7O2Sc110(2)711814(212011)1622231926(16)2415(2919)92517(27)12534613(12)18(25)28h36810H79H212H3(H2021)
MFCD18162406
ZINC000012321762
ZINC12321762
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