Vitas-M small molecule compound
2-[1-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK725315
SMILES CC(N1C(=O)c2c(C1=O)cccc2)c1nc2n(n1)cnc1c2c2CCCCCc2s1
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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 C22H19N5O2S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S/c1-12(27-21(28)13-7-5-6-8-14(13)22(27)29)18-24-19-17-15-9-3-2-4-10-16(15)30-20(17)23-11-26(19)25-18/h5-8,11-12H,2-4,9-10H2,1H3InChIKey
QAFLILXYPSKOQJ-UHFFFAOYSA-NSynonyms
896816-75-42(1(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)ethyl)1Hisoindole13(2H)dione
2(1(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)ethyl)isoindoline13dione
896816754
CC(C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCCC4)N5C(=O)C6=CC=CC=C6C5=O
InChI=1SC22H19N5O2Sc112(2721(28)13756814(13)22(27)29)182419171593241016(15)3020(17)231126(19)2518h581112H24910H21H3
MFCD06596860
ZINC000002205956
ZINC000002205958
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