Vitas-M small molecule compound

N-1H-benzimidazol-2-yl-Nalpha-(thiomorpholin-4-ylcarbonyl)phenylalaninamide

Catalog ID
STL163122
SMILES O=C(C(NC(=O)N1CCSCC1)Cc1ccccc1)Nc1nc2c([nH]1)cccc2

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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 C21H23N5O2S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S/c27-19(25-20-22-16-8-4-5-9-17(16)23-20)18(14-15-6-2-1-3-7-15)24-21(28)26-10-12-29-13-11-26/h1-9,18H,10-14H2,(H,24,28)(H2,22,23,25,27)
InChIKey
QGXOHHJWEHKYMI-UHFFFAOYSA-N
Synonyms

(S)N(1((1Hbenzo(d)imidazol2yl)amino)1oxo3phenylpropan2yl)thiomorpholine4carboxamide
C1CSCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3
InChI=1SC21H23N5O2Sc2719(25202216845917(16)2320)18(14156213715)2421(28)26101229131126h1918H1014H2(H2428)(H222232527)
MFCD20759925
N(1(1Hbenzimidazol2ylamino)1oxo3phenylpropan2yl)thiomorpholine4carboxamide
N1Hbenzimidazol2ylNalpha(thiomorpholin4ylcarbonyl)phenylalaninamide
O=C((C@@H)(NC(=O)N1CCSCC1)Cc1ccccc1)Nc1nc2c((nH)1)cccc2
O=C(C(NC(=O)N1CCSCC1)Cc1ccccc1)Nc1nc2c((nH)1)cccc2
ZINC000049546991
ZINC000051065486

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Available files

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