Vitas-M small molecule compound
1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STL398055
SMILES O=C(c1n(C)ncc1[N+](=O)[O-])Nn1c(C)nc2c(c1=O)c1CCCCc1s2
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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 C16H16N6O4S MW 388.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O4S/c1-8-18-15-12(9-5-3-4-6-11(9)27-15)16(24)21(8)19-14(23)13-10(22(25)26)7-17-20(13)2/h7H,3-6H2,1-2H3,(H,19,23)InChIKey
NMACDJKTHIKCJD-UHFFFAOYSA-NSynonyms
1005654-14-71005654147
1methylN(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)4nitro1Hpyrazole5carboxamide
2methylN(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)4nitropyrazole3carboxamide
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)C4=C(C=NN4C)(N+)(=O)(O)
InChI=1SC16H16N6O4Sc18181512(9534611(9)2715)16(24)21(8)1914(23)1310(22(25)26)71720(13)2h7H36H212H3(H1923)
MFCD04043619
O=C(c1n(C)ncc1(N+)(=O)(O))Nn1c(C)nc2c(c1=O)c1CCCCc1s2
ZINC000002778901
ZINC02778901
ZINC2778901
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