Vitas-M small molecule compound
ethyl 2-[(2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]oxy}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK758941
SMILES CCOC(=O)c1c(NC(=O)C(OC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])CC)sc2c1CCCC2
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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 C24H26N2O7S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O7S/c1-3-18(33-20(27)14-11-15-9-12-16(13-10-15)26(30)31)22(28)25-23-21(24(29)32-4-2)17-7-5-6-8-19(17)34-23/h9-14,18H,3-8H2,1-2H3,(H,25,28)/b14-11+InChIKey
AVRCPIMJGDXWRP-SDNWHVSQSA-NSynonyms
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C(OC(=O)C=Cc2ccc(cc2)(N+)(=O)(O))CC)sc2c1CCCC2
ethyl2((2(((2E)3(4nitrophenyl)prop2enoyl)oxy)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((E)3(4nitrophenyl)prop2enoyl)oxybutanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H26N2O7Sc1318(3320(27)14111591216(131015)26(30)31)22(28)252321(24(29)3242)17756819(17)3423h91418H38H212H3(H2528)b1411+
MFCD01460454
ZINC000003667190
ZINC000003667192
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