Vitas-M small molecule compound

11-(2-methylpropyl)-3-(prop-2-en-1-ylsulfanyl)-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
STK543277
SMILES C=CCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(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 C21H23N5S2 MW 409.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5S2/c1-4-9-27-21-25-24-19-18-17(22-11-26(19)21)16-14-8-6-5-7-13(14)15(10-12(2)3)23-20(16)28-18/h4,11-12H,1,5-10H2,2-3H3
InChIKey
WQHWQEWBWUVPHC-UHFFFAOYSA-N
Synonyms
497232-40-3
11(2methylpropyl)3(prop2en1ylsulfanyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3(allylthio)11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
497232403
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC=C)SC3=N1
InChI=1SC21H23N5S2c14927212524191817(221126(19)21)1614865713(14)15(1012(2)3)2320(16)2818h41112H1510H223H3
MFCD03300774
ZINC000002344500
ZINC02344500
ZINC2344500

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Available files

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