Vitas-M small molecule compound

methyl 4-(2-benzyl-7-chloro-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate

Catalog ID
STK514598
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

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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 C26H18ClNO5 MW 459.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClNO5/c1-32-26(31)17-9-7-16(8-10-17)22-21-23(29)19-13-18(27)11-12-20(19)33-24(21)25(30)28(22)14-15-5-3-2-4-6-15/h2-13,22H,14H2,1H3
InChIKey
OUAVKJPKQWEJHB-UHFFFAOYSA-N
Synonyms
708993-28-6
708993286
COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CC=CC=C4)OC5=C(C3=O)C=C(C=C5)Cl
InChI=1SC26H18ClNO5c13226(31)179716(81017)222123(29)191318(27)111220(19)3324(21)25(30)28(22)14155324615h21322H14H21H3
methyl4(2benzyl7chloro39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2BENZYL7CHLORO39DIOXO1HCHROMENO(23C)PYRROL1YL)BENZOATE
MFCD05705415
ZINC000002861923
ZINC000002861924

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Available files

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