Vitas-M small molecule compound
(4S,4aS)-2-amino-10-methyl-4-(thiophen-3-yl)-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK525339
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)c1cscc1)(C#N)C#N
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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 C19H17N5S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5S/c1-24-12-2-3-15(24)16-13(6-12)14(7-20)18(23)19(9-21,10-22)17(16)11-4-5-25-8-11/h4-6,8,12,15-17H,2-3,23H2,1H3/t12?,15?,16-,17-/m0/s1InChIKey
FJJCTRCHQLJSEN-PFWSDMIYSA-NSynonyms
303179-71-7(4S4aS)2amino10methyl4(thiophen3yl)44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
303179717
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CSC=C4
InChI=1SC19H17N5Sc124122315(24)1613(612)14(720)18(23)19(9211022)17(16)114525811h468121517H2323H21H3t12?15?1617m0s1
MFCD18241544
N#CC1=C(N)C((C@H)((C@H)2C1=CC1CCC2N1C)c1cscc1)(C#N)C#N
ZINC000101507007
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