Vitas-M small molecule compound
methyl 4-[2-(2-chlorobenzyl)-7-methyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Catalog ID
STK515406
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)ccc(c1)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 C27H20ClNO5 MW 473.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClNO5/c1-15-7-12-21-19(13-15)24(30)22-23(16-8-10-17(11-9-16)27(32)33-2)29(26(31)25(22)34-21)14-18-5-3-4-6-20(18)28/h3-13,23H,14H2,1-2H3InChIKey
HDKAJOUZKZTSEF-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)CC4=CC=CC=C4Cl)C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H20ClNO5c1157122119(1315)24(30)2223(1681017(11916)27(32)332)29(26(31)25(22)3421)1418534620(18)28h31323H14H212H3
methyl4(2((2chlorophenyl)methyl)7methyl39dioxo1Hchromeno(23c)pyrrol1yl)benzoate
methyl4(2(2chlorobenzyl)7methyl39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
MFCD06645238
ZINC000016741852
ZINC000016741853
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