Vitas-M small molecule compound

3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-11-propyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STL226986
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1ccc2c(c1)OCO2

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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 C25H23N5O2S2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O2S2/c1-2-5-17-15-6-3-4-7-16(15)20-21-22(34-24(20)27-17)23-28-29-25(30(23)12-26-21)33-11-14-8-9-18-19(10-14)32-13-31-18/h8-10,12H,2-7,11,13H2,1H3
InChIKey
GGQMDMGKCGKIIN-UHFFFAOYSA-N
Synonyms
488860-56-6
3((13benzodioxol5ylmethyl)sulfanyl)11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3((benzo(d)(13)dioxol5ylmethyl)thio)11propyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
488860566
CCCC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC6=CC7=C(C=C6)OCO7)SC3=N1
InChI=1SC25H23N5O2S2c1251715634716(15)202122(3424(20)2717)23282925(30(23)122621)331114891819(1014)32133118h81012H271113H21H3
MFCD03295260
ZINC000001254208
ZINC01254208
ZINC1254208

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Available files

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