Vitas-M small molecule compound

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

Catalog ID
STK306171
SMILES COc1nn(cc1[N+](=O)[O-])C(c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)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 C18H19N7O3S MW 413.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O3S/c1-9-4-5-11-13(6-9)29-18-14(11)16-20-15(21-24(16)8-19-18)10(2)23-7-12(25(26)27)17(22-23)28-3/h7-10H,4-6H2,1-3H3
InChIKey
FUWGAJWLNYVFKO-UHFFFAOYSA-N
Synonyms
1005637-48-8
1005637488
2(1(3methoxy4nitro1Hpyrazol1yl)ethyl)9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(C)N5C=C(C(=N5)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))C(c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C)C
InChI=1SC18H19N7O3Sc19451113(69)291814(11)162015(2124(16)81918)10(2)23712(25(26)27)17(2223)283h710H46H213H3
MFCD04129629
ZINC000002788902
ZINC000002788905

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Available files

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