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-leucine
Catalog ID
STL565698
SMILES CC(C[C@@H](C(=O)O)NC(=O)[C@H](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 C24H33N3O5S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O5S/c1-12(2)11-16(23(31)32)25-19(28)17(13(3)4)26-20(29)18-24(5,6)33-22-15-10-8-7-9-14(15)21(30)27(18)22/h7-10,12-13,16-18,22H,11H2,1-6H3,(H,25,28)(H,26,29)(H,31,32)/t16-,17-,18+,22?/m0/s1InChIKey
BTHDWAPPKSVHBY-PVNZRKONSA-NSynonyms
956961-40-3(2S)2(((2S)2(((3R)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3methylbutanoyl)amino)4methylpentanoicacid
(2S)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3methylbutanamido)4methylpentanoicacid
16406359
956961403
CC(C(C@@H)(C(=O)O)NC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC24H33N3O5Sc112(2)1116(23(31)32)2519(28)17(13(3)4)2620(29)1824(56)3322151087914(15)21(30)27(18)22h7101213161822H11H216H3(H2528)(H2629)(H3132)t161718+22?m0s1
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)LvalylLleucine
ZINC000012889467
ZINC000012889473
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