Vitas-M small molecule compound

methyl 2-{[(7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK517708
SMILES COC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(cc3)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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-10-6-7-11-13(22)9-15(26-14(11)8-10)18(23)21-19-17(20(24)25-2)12-4-3-5-16(12)27-19/h6-9H,3-5H2,1-2H3,(H,21,23)
InChIKey
VBLBMPGQJHSYPC-UHFFFAOYSA-N
Synonyms
898611-88-6
898611886
CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC
InChI=1SC20H17NO5Sc110671113(22)915(2614(11)810)18(23)211917(20(24)252)1243516(12)2719h69H35H212H3(H2123)
methyl2(((7methyl4oxo4Hchromen2yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((7methyl4oxochromene2carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD08549881
ZINC000012111562
ZINC12111562

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Available files

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