Vitas-M small molecule compound

methyl 2-{[(2-imino-6-nitro-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK468834
SMILES COC(=O)c1c(NC(=O)c2cc3cc(ccc3oc2=N)[N+](=O)[O-])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 C20H17N3O6S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6S/c1-28-20(25)16-12-4-2-3-5-15(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
DOYGRFMKJXLBOT-HEHNFIMWSA-N
Synonyms

COC(=O)c1c(NC(=O)c2cc3cc(ccc3oc2=N)(N+)(=O)(O))sc2c1CCCC2
methyl2(((2imino6nitro2Hchromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06121930
ZINC000017095358

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Available files

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