Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK414035
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCC2
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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 C18H16N2O5S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5S/c1-25-18(22)16-13-3-2-4-14(13)26-17(16)19-15(21)10-7-11-5-8-12(9-6-11)20(23)24/h5-10H,2-4H2,1H3,(H,19,21)/b10-7+InChIKey
ZIHGHAGRAZHUJC-JXMROGBWSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))sc2c1CCC2
InChI=1SC18H16N2O5Sc12518(22)161332414(13)2617(16)1915(21)107115812(9611)20(23)24h510H24H21H3(H1921)b107+
methyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((2E)3(4NITROPHENYL)PROP2ENOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD01180188
ZINC000001200308
ZINC01200308
ZINC1200308
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