Vitas-M small molecule compound

dimethyl 2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Catalog ID
STL331369
SMILES COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2c1C(CC2)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 C20H18N2O7S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7S/c1-28-19(24)13-7-8-14-16(13)17(20(25)29-2)18(30-14)21-15(23)9-6-11-4-3-5-12(10-11)22(26)27/h3-6,9-10,13H,7-8H2,1-2H3,(H,21,23)/b9-6+
InChIKey
VTHYDVMQCWLZEO-RMKNXTFCSA-N
Synonyms
292058-29-8
(E)dimethyl2(3(3nitrophenyl)acrylamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
292058298
COC(=O)c1c(NC(=O)C=Cc2cccc(c2)(N+)(=O)(O))sc2c1C(CC2)C(=O)OC
COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC
dimethyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
InChI=1SC20H18N2O7Sc12819(24)13781416(13)17(20(25)292)18(3014)2115(23)961143512(1011)22(26)27h3691013H78H212H3(H2123)b96+
METHYL2((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD01918285
ZINC000001744126
ZINC000001744130

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.