Vitas-M small molecule compound
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL403582
SMILES O=c1n(cnc2c1sc1c2cccc1)Cn1nc(c(c1C)[N+](=O)[O-])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 C16H13N5O3S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c1-9-14(21(23)24)10(2)20(18-9)8-19-7-17-13-11-5-3-4-6-12(11)25-15(13)16(19)22/h3-7H,8H2,1-2H3InChIKey
OWPNILUZGMNAGE-UHFFFAOYSA-NSynonyms
1006994-03-11006994031
3((35dimethyl4nitro1Hpyrazol1yl)methyl)(1)benzothieno(32d)pyrimidin4(3H)one
3((35dimethyl4nitropyrazol1yl)methyl)(1)benzothiolo(32d)pyrimidin4one
CC1=C(C(=NN1CN2C=NC3=C(C2=O)SC4=CC=CC=C43)C)(N+)(=O)(O)
InChI=1SC16H13N5O3Sc1914(21(23)24)10(2)20(189)8197171311534612(11)2515(13)16(19)22h37H8H212H3
MFCD08555975
O=c1n(cnc2c1sc1c2cccc1)Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000036614537
ZINC36614537
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