Vitas-M small molecule compound
2-[1-{7-[2-(dimethylamino)ethyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-3-(methylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK624978
SMILES CSCCC(N1C(=O)c2c(C1=O)cccc2)c1nn2c(n1)c1c(nc2)n(c(c1C)C)CCN(C)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 C25H29N7O2S MW 491.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O2S/c1-15-16(2)30(12-11-29(3)4)22-20(15)23-27-21(28-31(23)14-26-22)19(10-13-35-5)32-24(33)17-8-6-7-9-18(17)25(32)34/h6-9,14,19H,10-13H2,1-5H3InChIKey
SJRXYKPRWKYPRU-UHFFFAOYSA-NSynonyms
929856-28-02(1(7(2(dimethylamino)ethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3(methylsulfanyl)propyl)1Hisoindole13(2H)dione
2(1(7(2(dimethylamino)ethyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3(methylthio)propyl)isoindoline13dione
929856280
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O)CCN(C)C)C
InChI=1SC25H29N7O2Sc11516(2)30(121129(3)4)2220(15)232721(2831(23)142622)19(1013355)3224(33)17867918(17)25(32)34h691419H1013H215H3
MFCD09795210
ZINC000009530763
ZINC000009530764
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