Vitas-M small molecule compound

methyl 4-{[(2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methylfuran-2-carboxylate

Catalog ID
STK829432
SMILES COC(=O)c1oc(c(c1)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C

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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 C21H19ClO6 MW 402.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClO6/c1-11-12(7-19(27-11)21(24)25-2)10-26-18-9-17-15(8-16(18)22)13-5-3-4-6-14(13)20(23)28-17/h7-9H,3-6,10H2,1-2H3
InChIKey
XBQLQARNQNSIRB-UHFFFAOYSA-N
Synonyms
374763-55-0
374763550
CC1=C(C=C(O1)C(=O)OC)COC2=C(C=C3C4=C(CCCC4)C(=O)OC3=C2)Cl
InChI=1SC21H19ClO6c11112(719(2711)21(24)252)10261891715(816(18)22)13534614(13)20(23)2817h79H3610H212H3
methyl4(((2chloro6oxo78910tetrahydro6Hbenzo(c)chromen3yl)oxy)methyl)5methylfuran2carboxylate
methyl4((2chloro6oxo78910tetrahydrobenzo(c)chromen3yl)oxymethyl)5methylfuran2carboxylate
MFCD02059571
ZINC000001150868
ZINC01150868
ZINC1150868

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Available files

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