Vitas-M small molecule compound
3-hydroxy-6-methyl-2-{1-[4-(methylsulfanyl)phenyl]-3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl}-4H-pyran-4-one
Catalog ID
STL545047
SMILES CSc1ccc(cc1)C(c1oc(C)cc(=O)c1O)CC(=O)N1CCc2c(C1)[nH]c1c2cccc1
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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-16-13-24(30)26(32)27(33-16)21(17-7-9-18(34-2)10-8-17)14-25(31)29-12-11-20-19-5-3-4-6-22(19)28-23(20)15-29/h3-10,13,21,28,32H,11-12,14-15H2,1-2H3InChIKey
XMKYMTPNVVNCTJ-UHFFFAOYSA-NSynonyms
1630840-04-81630840048
2(3(34DIHYDRO1HPYRIDO(34B)INDOL2(9H)YL)1(4(METHYLTHIO)PHENYL)3OXOPROPYL)3HYDROXY6METHYL4HPYRAN4ONE
3hydroxy6methyl2(1(4(methylsulfanyl)phenyl)3oxo3(1349tetrahydro2Hbetacarbolin2yl)propyl)4Hpyran4one
3hydroxy6methyl2(1(4methylsulfanylphenyl)3oxo3(1349tetrahydropyrido(34b)indol2yl)propyl)pyran4one
91638355
CSc1ccc(cc1)C(c1oc(C)cc(=O)c1O)CC(=O)N1CCc2c(C1)(nH)c1c2cccc1
InChI=1SC27H26N2O4Sc1161324(30)26(32)27(3316)21(177918(342)10817)1425(31)2912112019534622(19)2823(20)1529h31013212832H11121415H212H3
MFCD28349954
ZINC000217883977
ZINC000217884050
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