Vitas-M small molecule compound

ethyl 2-{[(2-imino-6-nitro-2H-chromen-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK469155
SMILES CCOC(=O)c1c(sc2c1CCC2)NC(=O)c1cc2cc(ccc2oc1=N)[N+](=O)[O-]

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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 C20H17N3O6S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6S/c1-2-28-20(25)16-12-4-3-5-15(12)30-19(16)22-18(24)13-9-10-8-11(23(26)27)6-7-14(10)29-17(13)21/h6-9,21H,2-5H2,1H3,(H,22,24)/b21-17-
InChIKey
MKRRYPQOMARVRM-FXBPSFAMSA-N
Synonyms

CCOC(=O)c1c(sc2c1CCC2)NC(=O)c1cc2cc(ccc2oc1=N)(N+)(=O)(O)
ethyl2(((2imino6nitro2Hchromen3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD06109238
ZINC000017095361

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Available files

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