Vitas-M small molecule compound

1-ethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide

Catalog ID
STK304282
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=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 C17H18N6O4S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O4S/c1-3-21-8-11(23(26)27)14(19-21)15(24)20-22-9(2)18-16-13(17(22)25)10-6-4-5-7-12(10)28-16/h8H,3-7H2,1-2H3,(H,20,24)
InChIKey
DZGPOBZIOPQVGV-UHFFFAOYSA-N
Synonyms
1005561-53-4
1005561534
1ethylN(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)4nitro1Hpyrazole3carboxamide
1ethylN(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)4nitropyrazole3carboxamide
CCN1C=C(C(=N1)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)Nn1c(C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC17H18N6O4Sc1321811(23(26)27)14(1921)15(24)20229(2)181613(17(22)25)10645712(10)2816h8H37H212H3(H2024)
MFCD04043817
ZINC000002780533
ZINC02780533
ZINC2780533

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Available files

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