Vitas-M small molecule compound

1-[(5-amino-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-3-(4-bromophenyl)propan-2-one

Catalog ID
STL238678
SMILES O=C(Cc1ccc(cc1)Br)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

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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 C20H18BrN5OS2 MW 488.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5OS2/c21-12-7-5-11(6-8-12)9-13(27)10-28-20-25-24-17-16-14-3-1-2-4-15(14)29-18(16)23-19(22)26(17)20/h5-8H,1-4,9-10H2,(H2,22,23)
InChIKey
VSVCUEUIXIECPZ-UHFFFAOYSA-N
Synonyms
900900-89-2
1((5amino891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)3(4bromophenyl)propan2one
1((5amino891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)3(4bromophenyl)propan2one
900900892
C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)CC5=CC=C(C=C5)Br)N
InChI=1SC20H18BrN5OS2c21127511(6812)913(27)1028202524171614312415(14)2918(16)2319(22)26(17)20h58H14910H2(H22223)
MFCD06776333
ZINC000009453021
ZINC09453021
ZINC9453021

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Available files

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