Vitas-M small molecule compound
(3R)-N-((2S,3R)-1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-methyl-1-oxopentan-2-yl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL532809
SMILES CCC([C@@H](C(=O)NCc1ccc2c(c1)OCO2)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/c1-5-15(2)21(23(31)28-13-16-10-11-19-20(12-16)35-14-34-19)29-24(32)22-27(3,4)36-26-18-9-7-6-8-17(18)25(33)30(22)26/h6-12,15,21-22,26H,5,13-14H2,1-4H3,(H,28,31)(H,29,32)/t15?,21-,22+,26?/m0/s1InChIKey
YYAHDCGHROJYNX-JEQJESNBSA-NSynonyms
957004-59-0(3~(R))~(N)((2~(S))1(13benzodioxol5ylmethylamino)3methyl1oxopentan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S3R)1((benzo(d)(13)dioxol5ylmethyl)amino)3methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406163
957004590
CCC((C@@H)(C(=O)NCc1ccc2c(c1)OCO2)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H31N3O5Sc1515(2)21(23(31)28131610111920(1216)35143419)2924(32)2227(34)362618976817(18)25(33)30(22)26h61215212226H51314H214H3(H2831)(H2932)t15?2122+26?m0s1
ZINC000008876354
ZINC000012889171
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