Vitas-M small molecule compound
(3R)-N-((S)-1-(((2S,3R)-1-hydroxy-3-methylpentan-2-yl)amino)-1-oxopropan-2-yl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL530685
SMILES OC[C@H](C(CC)C)NC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)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 C22H31N3O4S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O4S/c1-6-12(2)16(11-26)24-18(27)13(3)23-19(28)17-22(4,5)30-21-15-10-8-7-9-14(15)20(29)25(17)21/h7-10,12-13,16-17,21,26H,6,11H2,1-5H3,(H,23,28)(H,24,27)/t12?,13-,16+,17+,21?/m0/s1InChIKey
YFTLVPAMEUTPTF-AHMFLZFYSA-NSynonyms
956914-88-8(3~(R))~(N)((2~(S))1(((2~(S))1hydroxy3methylpentan2yl)amino)1oxopropan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(((2S3R)1hydroxy3methylpentan2yl)amino)1oxopropan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16404207
956914888
InChI=1SC22H31N3O4Sc1612(2)16(1126)2418(27)13(3)2319(28)1722(45)3021151087914(15)20(29)25(17)21h710121316172126H611H215H3(H2328)(H2427)t12?1316+17+21?m0s1
OC(C@H)(C(CC)C)NC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
ZINC000008790397
ZINC000012883248
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