Vitas-M small molecule compound

9-ethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK306399
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-]

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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 C21H19N7O3S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O3S/c1-2-12-3-5-15-17(7-12)32-21-18(15)20-24-19(25-27(20)11-22-21)16-6-4-14(31-16)10-26-9-13(8-23-26)28(29)30/h4,6,8-9,11-12H,2-3,5,7,10H2,1H3
InChIKey
FZCNUOMUCXRGLW-UHFFFAOYSA-N
Synonyms
1005638-32-3
1005638323
9ethyl2(5((4nitro1Hpyrazol1yl)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(O5)CN6C=C(C=N6)(N+)(=O)(O)
CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC21H19N7O3Sc1212351517(712)322118(15)202419(2527(20)112221)166414(3116)1026913(82326)28(29)30h46891112H235710H21H3
MFCD04052648
ZINC000002790194
ZINC000002790195

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Available files

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