Vitas-M small molecule compound
5-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-4-ethyl-7-methyl-2H-chromen-2-one
Catalog ID
STK991594
SMILES CCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)N1CCC2(C(C1c1ccc(cc1)Cl)CCCC2)O)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 C30H34ClNO5 MW 524.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO5/c1-4-20-17-26(33)37-25-16-18(2)15-24(27(20)25)36-19(3)29(34)32-14-13-30(35)12-6-5-7-23(30)28(32)21-8-10-22(31)11-9-21/h8-11,15-17,19,23,28,35H,4-7,12-14H2,1-3H3InChIKey
BTGHFZMNIMXRHE-UHFFFAOYSA-NSynonyms
5((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)4ethyl7methyl2Hchromen2one
5((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)4ethyl7methyl2Hchromen2one
5(1(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy4ethyl7methylchromen2one
5(2(1(4CHLOROPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)1METHYL2OXOETHOXY)4ETHYL7METHYL2HCHROMEN2ONE
CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)N3CCC4(CCCCC4C3C5=CC=C(C=C5)Cl)O
CCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)N1CCC2(C((C@@H)1c1ccc(cc1)Cl)CCCC2)O)C
InChI=1SC30H34ClNO5c14201726(33)37251618(2)1524(27(20)25)3619(3)29(34)32141330(35)1265723(30)28(32)2181022(31)11921h811151719232835H471214H213H3
MFCD10040753
ZINC000002117445
ZINC000238882009
Check stock
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Check stock on Vitas-MAvailable files
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