Vitas-M small molecule compound
2-{5-[(3,5-dimethyl-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
STK306100
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
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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/c1-11-18(28(29)30)12(2)26(24-11)9-13-7-8-15(31-13)19-23-20-17-14-5-3-4-6-16(14)32-21(17)22-10-27(20)25-19/h7-8,10H,3-6,9H2,1-2H3InChIKey
MUHJOJBBSVXUQH-UHFFFAOYSA-NSynonyms
1005614-06-1(O)(N+)(=O)c1c(C)nn(c1C)Cc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
1005614061
2(5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=C(C(=NN1CC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCCC6)C)(N+)(=O)(O)
InChI=1SC21H19N7O3Sc11118(28(29)30)12(2)26(2411)9137815(3113)1923201714534616(14)3221(17)221027(20)2519h7810H369H212H3
MFCD04046640
ZINC000002788465
ZINC02788465
ZINC2788465
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