Vitas-M small molecule compound

(3R)-N-[(2S)-1-{[(2S)-1-hydroxypropan-2-yl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL548112
SMILES CSCC[C@@H](C(=O)N[C@H](CO)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

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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 C21H29N3O4S2 MW 451.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S2/c1-12(11-25)22-17(26)15(9-10-29-4)23-18(27)16-21(2,3)30-20-14-8-6-5-7-13(14)19(28)24(16)20/h5-8,12,15-16,20,25H,9-11H2,1-4H3,(H,22,26)(H,23,27)/t12-,15-,16+,20?/m0/s1
InChIKey
WPBDFYDJMZEATF-RPSUROSHSA-N
Synonyms
956935-76-5
(3~(R))~(N)((2~(S))1(((2~(S))1hydroxypropan2yl)amino)4methylsulfanyl1oxobutan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(((2S)1hydroxypropan2yl)amino)4(methylsulfanyl)1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(((S)1hydroxypropan2yl)amino)4(methylthio)1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406948
956935765
CSCC(C@@H)(C(=O)N(C@H)(CO)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC21H29N3O4S2c112(1125)2217(26)15(910294)2318(27)1621(23)302014865713(14)19(28)24(16)20h581215162025H911H214H3(H2226)(H2327)t121516+20?m0s1
ZINC000008877587
ZINC000012890867

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Available files

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