Vitas-M small molecule compound
methyl 4-[(N-{[(3R)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-beta-alanyl)amino]benzoate
Catalog ID
STK648952
SMILES COC(=O)c1ccc(cc1)NC(=O)CCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1
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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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-30-22(29)13-6-8-14(9-7-13)24-18(26)10-11-23-19(27)17-12-31-21-16-5-3-2-4-15(16)20(28)25(17)21/h2-9,17,21H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,21?/m0/s1InChIKey
XMZMKLPXQKSFEU-PBVYKCSPSA-NSynonyms
1014103-13-91014103139
COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2CSC3N2C(=O)C4=CC=CC=C34
COC(=O)c1ccc(cc1)NC(=O)CCNC(=O)(C@@H)1CSC2N1C(=O)c1c2cccc1
InChI=1SC22H21N3O5Sc13022(29)136814(9713)2418(26)10112319(27)1712312116532415(16)20(28)25(17)21h291721H1012H21H3(H2327)(H2426)t1721?m0s1
methyl4((N(((3R)5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)betaalanyl)amino)benzoate
methyl4(3(((3R)5oxo39bdihydro2H(13)thiazolo(23a)isoindole3carbonyl)amino)propanoylamino)benzoate
methyl4(3((3R)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)propanamido)benzoate
MFCD10489001
ZINC000013731210
ZINC000013731214
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