Vitas-M small molecule compound
N-{[(3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-L-valyl-L-valine
Catalog ID
STL533016
SMILES CC([C@@H](C(=O)N[C@H](C(=O)O)C(C)C)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 C23H31N3O5S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O5S/c1-11(2)15(18(27)25-16(12(3)4)22(30)31)24-19(28)17-23(5,6)32-21-14-10-8-7-9-13(14)20(29)26(17)21/h7-12,15-17,21H,1-6H3,(H,24,28)(H,25,27)(H,30,31)/t15-,16-,17+,21?/m0/s1InChIKey
RSVJXHSBPKCIEB-VREBPVJHSA-NSynonyms
956823-01-1(2~(S))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3methylbutanoyl)amino)3methylbutanoicacid
(2S)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3methylbutanamido)3methylbutanoicacid
16406453
956823011
CC((C@@H)(C(=O)N(C@H)(C(=O)O)C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC23H31N3O5Sc111(2)15(18(27)2516(12(3)4)22(30)31)2419(28)1723(56)3221141087913(14)20(29)26(17)21h712151721H16H3(H2428)(H2527)(H3031)t151617+21?m0s1
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)LvalylLvaline
ZINC000008876649
ZINC000008876650
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