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-phenylalanine
Catalog ID
STL529652
SMILES CC([C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)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 C27H31N3O5S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5S/c1-15(2)20(22(31)28-19(26(34)35)14-16-10-6-5-7-11-16)29-23(32)21-27(3,4)36-25-18-13-9-8-12-17(18)24(33)30(21)25/h5-13,15,19-21,25H,14H2,1-4H3,(H,28,31)(H,29,32)(H,34,35)/t19-,20-,21+,25?/m0/s1InChIKey
FTEVFWCCRZCTJD-OHNBABFVSA-NSynonyms
956998-28-0(2~(S))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3methylbutanoyl)amino)3phenylpropanoicacid
(2S)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3methylbutanamido)3phenylpropanoicacid
16406420
956998280
CC((C@@H)(C(=O)N(C@H)(C(=O)O)Cc1ccccc1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H31N3O5Sc115(2)20(22(31)2819(26(34)35)1416106571116)2923(32)2127(34)36251813981217(18)24(33)30(21)25h51315192125H14H214H3(H2831)(H2932)(H3435)t192021+25?m0s1
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)LvalylLphenylalanine
ZINC000008876593
ZINC000008876596
Check stock
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Check stock on Vitas-MAvailable files
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