Vitas-M small molecule compound
(2E)-2-(thiophen-2-ylmethylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
Catalog ID
STL264916
SMILES O=C1/C(=C\c2cccs2)/N=C2N1CCCCC2
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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 C13H14N2OS MW 246.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2OS/c16-13-11(9-10-5-4-8-17-10)14-12-6-2-1-3-7-15(12)13/h4-5,8-9H,1-3,6-7H2/b11-9+InChIKey
PAPOWTPPVPBJOI-PKNBQFBNSA-NSynonyms
(2E)2(thiophen2ylmethylidene)256789hexahydro3Himidazo(12a)azepin3one
(2E)2(thiophen2ylmethylidene)6789tetrahydro5Himidazo(12a)azepin3one
2(2THIENYLMETHYLENE)5H6H7H8H9H13DIAZOLINO(12A)AZAPERHYDROEPIN3ONE
C1CCC2=NC(=CC3=CC=CS3)C(=O)N2CC1
InChI=1SC13H14N2OSc161311(9105481710)14126213715(12)13h4589H1367H2b119+
MFCD03459436
O=C1C(=Cc2cccs2)N=C2N1CCCCC2
ZINC000003212375
ZINC3212375
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