Vitas-M small molecule compound
methyl 2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK401690
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)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 C17H16N2O5S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5S/c1-9-6-7-10(8-12(9)19(22)23)15(20)18-16-14(17(21)24-2)11-4-3-5-13(11)25-16/h6-8H,3-5H2,1-2H3,(H,18,20)InChIKey
IBOJHUNSFNVEBL-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))C)sc2c1CCC2
InChI=1SC17H16N2O5Sc196710(812(9)19(22)23)15(20)181614(17(21)242)1143513(11)2516h68H35H212H3(H1820)
methyl2(((4methyl3nitrophenyl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((4METHYL3NITROBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((4METHYL3NITROPHENYL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD01357256
ZINC000001217477
ZINC01217477
ZINC1217477
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