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(3R)-N-[(2S)-1-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STK608047
SMILES CSCC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)[C@H]1N2C(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 C26H29N3O5S2 MW 527.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O5S2/c1-26(2)21(29-24(32)16-6-4-5-7-17(16)25(29)36-26)23(31)28-18(10-11-35-3)22(30)27-13-15-8-9-19-20(12-15)34-14-33-19/h4-9,12,18,21,25H,10-11,13-14H2,1-3H3,(H,27,30)(H,28,31)/t18-,21+,25?/m0/s1
InChIKey
BAWDCSILHNOUQY-BBRSIGJESA-N
Synonyms
1014064-37-9
(3R)N((2S)1((13benzodioxol5ylmethyl)amino)4(methylsulfanyl)1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(13benzodioxol5ylmethylamino)4methylsulfanyl1oxobutan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((benzo(d)(13)dioxol5ylmethyl)amino)4(methylthio)1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014064379
CC1(C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)NC(CCSC)C(=O)NCC4=CC5=C(C=C4)OCO5)C
CSCC(C@@H)(C(=O)NCc1ccc2c(c1)OCO2)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC26H29N3O5S2c126(2)21(2924(32)16645717(16)25(29)3626)23(31)2818(1011353)22(30)271315891920(1215)34143319h4912182125H10111314H213H3(H2730)(H2831)t1821+25?m0s1
ZINC000101418708
ZINC000101418709

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Available files

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