Vitas-M small molecule compound
N-{[(3R)-2,2,3-trimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-beta-alanine
Catalog ID
STK624618
SMILES OC(=O)CCNC(=O)[C@@]1(C)N2C(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 C17H20N2O4S MW 348.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4S/c1-16(2)17(3,15(23)18-9-8-12(20)21)19-13(22)10-6-4-5-7-11(10)14(19)24-16/h4-7,14H,8-9H2,1-3H3,(H,18,23)(H,20,21)/t14?,17-/m1/s1InChIKey
OCFASSHNESHBHH-FBMWCMRBSA-NSynonyms
1014408-11-71014408117
3(((3R)223trimethyl5oxo9bH(13)thiazolo(23a)isoindole3carbonyl)amino)propanoicacid
3((3R)223trimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)propanoicacid
CC1(C(N2C(S1)C3=CC=CC=C3C2=O)(C)C(=O)NCCC(=O)O)C
InChI=1SC17H20N2O4Sc116(2)17(315(23)189812(20)21)1913(22)10645711(10)14(19)2416h4714H89H213H3(H1823)(H2021)t14?17m1s1
MFCD10488954
N(((3R)223trimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)betaalanine
OC(=O)CCNC(=O)(C@@)1(C)N2C(SC1(C)C)c1c(C2=O)cccc1
ZINC000013689583
ZINC000013689584
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