Vitas-M small molecule compound

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

Catalog ID
STK608652
SMILES CSCC[C@@H](C(=O)NC1CCCC1)NC(=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 C21H27N3O3S2 MW 433.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S2/c1-28-11-10-16(18(25)22-13-6-2-3-7-13)23-19(26)17-12-29-21-15-9-5-4-8-14(15)20(27)24(17)21/h4-5,8-9,13,16-17,21H,2-3,6-7,10-12H2,1H3,(H,22,25)(H,23,26)/t16-,17-,21?/m0/s1
InChIKey
BQOVBGBYOWXBEH-MVWJYJSVSA-N
Synonyms
1014003-09-8
(3R)N((2S)1(cyclopentylamino)4(methylsulfanyl)1oxobutan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(cyclopentylamino)4methylsulfanyl1oxobutan2yl)5oxo39bdihydro2H(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(cyclopentylamino)4(methylthio)1oxobutan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014003098
CSCC(C@@H)(C(=O)NC1CCCC1)NC(=O)(C@@H)1CSC2N1C(=O)c1c2cccc1
CSCCC(C(=O)NC1CCCC1)NC(=O)C2CSC3N2C(=O)C4=CC=CC=C34
InChI=1SC21H27N3O3S2c128111016(18(25)2213623713)2319(26)1712292115954814(15)20(27)24(17)21h458913161721H23671012H21H3(H2225)(H2326)t161721?m0s1
MFCD06772233
ZINC000009448303
ZINC000009448307

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.