Vitas-M small molecule compound
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK305872
SMILES COc1nn(cc1[N+](=O)[O-])Cc1nn2c(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 C16H15N7O3S MW 385.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N7O3S/c1-26-15-10(23(24)25)6-21(20-15)7-12-18-14-13-9-4-2-3-5-11(9)27-16(13)17-8-22(14)19-12/h6,8H,2-5,7H2,1H3InChIKey
BFVIHISHWKTFOE-UHFFFAOYSA-NSynonyms
1005584-11-11005584111
2((3methoxy4nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
COC1=NN(C=C1(N+)(=O)(O))CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5
COc1nn(cc1(N+)(=O)(O))Cc1nn2c(n1)c1c(nc2)sc2c1CCCC2
InChI=1SC16H15N7O3Sc1261510(23(24)25)621(2015)7121814139423511(9)2716(13)17822(14)1912h68H257H21H3
MFCD04046637
ZINC000002787848
ZINC02787848
ZINC2787848
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