Vitas-M small molecule compound
4-butyl-7-methyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-valinate
Catalog ID
STK590988
SMILES CCCCc1cc(=O)oc2c1c(OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)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 C26H31NO6S MW 485.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6S/c1-6-7-8-19-15-23(28)32-21-13-18(5)14-22(24(19)21)33-26(29)25(16(2)3)27-34(30,31)20-11-9-17(4)10-12-20/h9-16,25,27H,6-8H2,1-5H3/t25-/m0/s1InChIKey
WCHPKIXJMDWVSA-VWLOTQADSA-NSynonyms
1014002-74-4(4butyl7methyl2oxochromen5yl)(2S)3methyl2((4methylphenyl)sulfonylamino)butanoate
(S)4butyl7methyl2oxo2Hchromen5yl3methyl2(4methylphenylsulfonamido)butanoate
1014002744
4butyl7methyl2oxo2Hchromen5ylN((4methylphenyl)sulfonyl)Lvalinate
CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C
CCCCc1cc(=O)oc2c1c(OC(=O)(C@H)(C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)C
InChI=1SC26H31NO6Sc1678191523(28)32211318(5)1422(24(19)21)3326(29)25(16(2)3)2734(3031)2011917(4)101220h9162527H68H215H3t25m0s1
MFCD18245900
ZINC000009448201
ZINC09448201
ZINC9448201
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