Vitas-M small molecule compound
methyl 2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STL388313
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1/C(=C(\c3ccccc3)/c3ccccc3)/C2C=C1
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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 C30H22ClNO4 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClNO4/c1-36-30(35)22-16-19(12-15-23(22)31)32-28(33)26-20-13-14-21(27(26)29(32)34)25(20)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20-21,26-27H,1H3InChIKey
AEFJZCWEAUHHPH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6)Cl
COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
InChI=1SC30H22ClNO4c13630(35)221619(121523(22)31)3228(33)2620131421(27(26)29(32)34)25(20)24(178425917)18106371118h21620212627H1H3
methyl2chloro5(8(diphenylmethylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD01802364
ZINC000101360582
ZINC000101360588
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