Vitas-M small molecule compound
methyl 4-{(3aS,4R,9bR)-8-[(1E)-1-(2-{[(2-methylbenzyl)sulfanyl]acetyl}hydrazinylidene)ethyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Catalog ID
STL197841
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)/C(=N/NC(=O)CSCc1ccccc1C)/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 C32H33N3O3S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O3S/c1-20-7-4-5-8-25(20)18-39-19-30(36)35-34-21(2)24-15-16-29-28(17-24)26-9-6-10-27(26)31(33-29)22-11-13-23(14-12-22)32(37)38-3/h4-9,11-17,26-27,31,33H,10,18-19H2,1-3H3,(H,35,36)/b34-21+/t26-,27+,31+/m1/s1InChIKey
JCGLPCDWHRQOIB-JYNCRIJLSA-NSynonyms
CC1=CC=CC=C1CSCC(=O)NN=C(C)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)C(=NNC(=O)CSCc1ccccc1C)C
InChI=1SC32H33N3O3Sc120745825(20)18391930(36)353421(2)2415162928(1724)26961027(26)31(3329)22111323(141222)32(37)383h49111726273133H101819H213H3(H3536)b3421+t2627+31+m1s1
methyl4((3aS4R9bR)8((1E)1(2(((2methylbenzyl)sulfanyl)acetyl)hydrazinylidene)ethyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
methyl4((3aS4R9bR)8((E)CmethylN((2((2methylphenyl)methylsulfanyl)acetyl)amino)carbonimidoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD22391845
ZINC000059647067
ZINC101351278
Check stock
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Check stock on Vitas-MAvailable files
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