Vitas-M small molecule compound
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Catalog ID
STK304337
SMILES O=C(c1ccc(o1)Cn1ncc(c1)[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 C20H18N6O5S MW 454.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O5S/c1-11-22-19-17(14-4-2-3-5-16(14)32-19)20(28)25(11)23-18(27)15-7-6-13(31-15)10-24-9-12(8-21-24)26(29)30/h6-9H,2-5,10H2,1H3,(H,23,27)InChIKey
TVFDXNRJQMYNPO-UHFFFAOYSA-NSynonyms
1005561-65-81005561658
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC20H18N6O5Sc111221917(14423516(14)3219)20(28)25(11)2318(27)157613(3115)1024912(82124)26(29)30h69H2510H21H3(H2327)
MFCD04042894
N(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)5((4nitro1Hpyrazol1yl)methyl)furan2carboxamide
N(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)5((4nitropyrazol1yl)methyl)furan2carboxamide
O=C(c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))Nn1c(C)nc2c(c1=O)c1CCCCc1s2
ZINC000002780703
ZINC02780703
ZINC2780703
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