Vitas-M small molecule compound

2-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK860118
SMILES O=C1N(Cc2nc3n(n2)cnc2c3c3CCCCCc3s2)C(=O)c2c1cccc2

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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 C21H17N5O2S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S/c27-20-12-6-4-5-7-13(12)21(28)25(20)10-16-23-18-17-14-8-2-1-3-9-15(14)29-19(17)22-11-26(18)24-16/h4-7,11H,1-3,8-10H2
InChIKey
NITAASRQQOULBU-UHFFFAOYSA-N
Synonyms
831213-48-0
2((9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)isoindoline13dione
2(9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidin2ylmethyl)1Hisoindole13(2H)dione
831213480
C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)CN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC21H17N5O2Sc272012645713(12)21(28)25(20)1016231817148213915(14)2919(17)221126(18)2416h4711H13810H2
MFCD06613719
ZINC000001061387
ZINC01061387
ZINC1061387

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Available files

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