Vitas-M small molecule compound

Catalog ID
STK612376
SMILES CSCC[C@@H](C(=O)N[C@@H](C(CC)C)C(=O)O)NC(=O)N1CCn2c1nc1c2cccc1

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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 C21H29N5O4S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O4S/c1-4-13(2)17(19(28)29)24-18(27)15(9-12-31-3)23-21(30)26-11-10-25-16-8-6-5-7-14(16)22-20(25)26/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,23,30)(H,24,27)(H,28,29)/t13?,15-,17-/m0/s1
InChIKey
PAKNQKSBEDREPN-QJOPWCIASA-N
Synonyms
1014084-86-6
(2S)2(((2S)2(12dihydroimidazo(12a)benzimidazole3carbonylamino)4methylsulfanylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((S)2(23dihydro1Hbenzo(d)imidazo(12a)imidazole1carboxamido)4(methylthio)butanamido)3methylpentanoicacid
1014084866
CCC(C)C(C(=O)O)NC(=O)C(CCSC)NC(=O)N1CCN2C1=NC3=CC=CC=C32
CSCC(C@@H)(C(=O)N(C@@H)(C(CC)C)C(=O)O)NC(=O)N1CCn2c1nc1c2cccc1
InChI=1SC21H29N5O4Sc1413(2)17(19(28)29)2418(27)15(912313)2321(30)2611102516865714(16)2220(25)26h58131517H4912H213H3(H2330)(H2427)(H2829)t13?1517m0s1
MFCD07643045
ZINC000009130495
ZINC000013592388

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Available files

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