Vitas-M small molecule compound
methyl 4-cyano-3-methyl-5-{[(4-methyl-2-nitrophenoxy)acetyl]amino}thiophene-2-carboxylate
Catalog ID
STK472219
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)COc1ccc(cc1[N+](=O)[O-])C
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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 C17H15N3O6S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O6S/c1-9-4-5-13(12(6-9)20(23)24)26-8-14(21)19-16-11(7-18)10(2)15(27-16)17(22)25-3/h4-6H,8H2,1-3H3,(H,19,21)InChIKey
JYVSZZXEVJFZKM-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)(N+)(=O)(O)
COC(=O)c1sc(c(c1C)C#N)NC(=O)COc1ccc(cc1(N+)(=O)(O))C
InChI=1SC17H15N3O6Sc194513(12(69)20(23)24)26814(21)191611(718)10(2)15(2716)17(22)253h46H8H213H3(H1921)
methyl4cyano3methyl5(((4methyl2nitrophenoxy)acetyl)amino)thiophene2carboxylate
METHYL4CYANO3METHYL5((2(4METHYL2NITROPHENOXY)ACETYL)AMINO)THIOPHENE2CARBOXYLATE
METHYL4CYANO3METHYL5(2(4METHYL2NITROPHENOXY)ACETYLAMINO)THIOPHENE2CARBOXYLATE
MFCD07626096
ZINC000006690873
ZINC06690873
ZINC6690873
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