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-D-alanine
Catalog ID
STL533041
SMILES CC([C@@H](C(=O)N[C@@H](C(=O)O)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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-10(2)14(16(25)22-11(3)20(28)29)23-17(26)15-21(4,5)30-19-13-9-7-6-8-12(13)18(27)24(15)19/h6-11,14-15,19H,1-5H3,(H,22,25)(H,23,26)(H,28,29)/t11-,14+,15-,19?/m1/s1InChIKey
HQMVLGSYKQQKMW-SMGREHJGSA-NSynonyms
956972-48-8(2~(R))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3methylbutanoyl)amino)propanoicacid
(2R)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3methylbutanamido)propanoicacid
16404786
956972488
CC((C@@H)(C(=O)N(C@@H)(C(=O)O)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC21H27N3O5Sc110(2)14(16(25)2211(3)20(28)29)2317(26)1521(45)301913976812(13)18(27)24(15)19h611141519H15H3(H2225)(H2326)(H2829)t1114+1519?m1s1
MFCD08002380
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)LvalylDalanine
ZINC000008790977
ZINC000008790979
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