Vitas-M small molecule compound
(2S,3R)-2-((2S)-2-((3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamido)-3-methylbutanamido)-3-methylpentanoic acid
Catalog ID
STL531820
SMILES CCC([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/c1-7-13(4)17(23(31)32)26-19(28)16(12(2)3)25-20(29)18-24(5,6)33-22-15-11-9-8-10-14(15)21(30)27(18)22/h8-13,16-18,22H,7H2,1-6H3,(H,25,29)(H,26,28)(H,31,32)/t13?,16-,17-,18+,22?/m0/s1InChIKey
ROKFAKIIYIXKKP-LZBYYVHTSA-NSynonyms
956998-39-3(2~(S))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3methylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3methylbutanamido)3methylpentanoicacid
16406478
956998393
CCC((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=1SC24H33N3O5Sc1713(4)17(23(31)32)2619(28)16(12(2)3)2520(29)1824(56)33221511981014(15)21(30)27(18)22h813161822H7H216H3(H2529)(H2628)(H3132)t13?161718+22?m0s1
ZINC000008876689
ZINC000012889892
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