Vitas-M small molecule compound
methyl 4-(2,5-dimethylphenyl)-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK420254
SMILES COC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-12-5-6-13(2)16(9-12)17-11-30-21(19(17)22(26)29-4)23-20(25)15-7-8-18(24(27)28)14(3)10-15/h5-11H,1-4H3,(H,23,25)InChIKey
FOBAFNPVQMSSFH-UHFFFAOYSA-NSynonyms
444930-83-0444930830
CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
COC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC22H20N2O5Sc1125613(2)16(912)17113021(19(17)22(26)294)2320(25)157818(24(27)28)14(3)1015h511H14H3(H2325)
methyl4(25dimethylphenyl)2(((3methyl4nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL4(25DIMETHYLPHENYL)2((3METHYL4NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(25DIMETHYLPHENYL)2((4NITRO3METHYLBENZOYL)AMINO)3THIOPHENECARBOXYLATE
MFCD02372781
ZINC000000667795
ZINC00667795
ZINC667795
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