Vitas-M small molecule compound
methyl 2'-amino-1-(3,4-dichlorobenzyl)-7'-methyl-2,5'-dioxo-6'-(tetrahydrofuran-2-ylmethyl)-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
Catalog ID
STK166690
SMILES COC(=O)C1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(c2)C)CC1CCCO1
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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 C30H27Cl2N3O6 MW 596.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27Cl2N3O6/c1-16-12-23-24(27(36)34(16)15-18-6-5-11-40-18)30(25(26(33)41-23)28(37)39-2)19-7-3-4-8-22(19)35(29(30)38)14-17-9-10-20(31)21(32)13-17/h3-4,7-10,12-13,18H,5-6,11,14-15,33H2,1-2H3InChIKey
KDUFIOIVGAQUNQ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C(=O)N1CC3CCCO3)C4(C5=CC=CC=C5N(C4=O)CC6=CC(=C(C=C6)Cl)Cl)C(=C(O2)N)C(=O)OC
InChI=1SC30H27Cl2N3O6c116122324(27(36)34(16)151865114018)30(25(26(33)4123)28(37)392)19734822(19)35(29(30)38)141791020(31)21(32)1317h34710121318H5611141533H212H3
METHYL2AMINO1((34DICHLOROPHENYL)METHYL)7METHYL25DIOXO6(OXOLAN2YLMETHYL)SPIRO(INDOLE34PYRANO(32C)PYRIDINE)3CARBOXYLATE
methyl2amino1(34dichlorobenzyl)7methyl25dioxo6(tetrahydrofuran2ylmethyl)1256tetrahydrospiro(indole34pyrano(32c)pyridine)3carboxylate
MFCD08675135
ZINC000098045567
ZINC000098045570
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