Vitas-M small molecule compound
4-ethyl 2-methyl 3-methyl-5-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STK295009
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)sc(c1C)C(=O)OC
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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 C21H23N3O7S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7S/c1-4-31-20(26)16-12(2)17(21(27)30-3)32-19(16)22-18(25)13-7-8-14(15(11-13)24(28)29)23-9-5-6-10-23/h7-8,11H,4-6,9-10H2,1-3H3,(H,22,25)InChIKey
LDGYFNOAGYUHKG-UHFFFAOYSA-NSynonyms
4ethyl2methyl3methyl5(((3nitro4(pyrrolidin1yl)phenyl)carbonyl)amino)thiophene24dicarboxylate
4OETHYL2OMETHYL3METHYL5((3NITRO4PYRROLIDIN1YLBENZOYL)AMINO)THIOPHENE24DICARBOXYLATE
CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCCC2)sc(c1C)C(=O)OC
InChI=1SC21H23N3O7Sc143120(26)1612(2)17(21(27)303)3219(16)2218(25)137814(15(1113)24(28)29)239561023h7811H46910H213H3(H2225)
MFCD06627835
ZINC000013946304
ZINC13946304
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