Vitas-M small molecule compound
5-[(3aS,4S,6aR)-2-imino-5-oxidohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Catalog ID
STK329886
SMILES OC(=O)CCCC[C@H]1[C@H]2NC(=N)N[C@H]2CS1=O
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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 C10H17N3O3S MW 259.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H17N3O3S/c11-10-12-6-5-17(16)7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-,17?/m0/s1InChIKey
YAMSKNCJZZUJME-YBSFLMRUSA-NSynonyms
1134348-37-01134348370
5((3aS4S6aR)2amino5oxo3a466atetrahydro1Hthieno(34d)imidazol4yl)pentanoicacid
5((3aS4S6aR)2imino5oxidohexahydro1Hthieno(34d)imidazol4yl)pentanoicacid
C1C2C(C(S1=O)CCCCC(=O)O)N=C(N2)N
InChI=1SC10H17N3O3Sc1110126517(16)7(9(6)1310)31248(14)15h679H15H2(H1415)(H3111213)t67917?m0s1
MFCD13368612
OC(=O)CCCC(C@H)1(C@H)2NC(=N)N(C@H)2CS1=O
ZINC000018192632
ZINC000018192634
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