Vitas-M small molecule compound
N-cyclohexyl-Nalpha-{[(2R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl}-L-tryptophanamide
Catalog ID
STL531768
SMILES O=C([C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]1N2C(=O)CC2S(=O)(=O)C1(C)C)NC1CCCCC1
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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 C25H32N4O5S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5S/c1-25(2)22(29-20(30)13-21(29)35(25,33)34)24(32)28-19(23(31)27-16-8-4-3-5-9-16)12-15-14-26-18-11-7-6-10-17(15)18/h6-7,10-11,14,16,19,21-22,26H,3-5,8-9,12-13H2,1-2H3,(H,27,31)(H,28,32)/t19-,21?,22+/m0/s1InChIKey
VTSDQSJBKBMGIY-KFEBLCFASA-NSynonyms
956980-62-4(2~(R))~(N)((2~(S))1(cyclohexylamino)3(1~(H)indol3yl)1oxopropan2yl)33dimethyl447trioxo4$l^(6)thia1azabicyclo(320)heptane2carboxamide
(2R)N((S)1(cyclohexylamino)3(1Hindol3yl)1oxopropan2yl)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxamide44dioxide
16405709
956980624
InChI=1SC25H32N4O5Sc125(2)22(2920(30)1321(29)35(2533)34)24(32)2819(23(31)27168435916)121514261811761017(15)18h671011141619212226H35891213H212H3(H2731)(H2832)t1921?22+m0s1
NcyclohexylNalpha(((2R)33dimethyl44dioxido7oxo4thia1azabicyclo(320)hept2yl)carbonyl)Ltryptophanamide
O=C((C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@H)1N2C(=O)CC2S(=O)(=O)C1(C)C)NC1CCCCC1
ZINC000008876192
ZINC000012888651
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