Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK005597
SMILES CCN1CC=C2[C@H](C1)[C@@H](c1cc3OCOc3cc1Cl)C(C(=C2C#N)N)(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 C21H18ClN5O2 MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O2/c1-2-27-4-3-12-14(7-23)20(26)21(9-24,10-25)19(15(12)8-27)13-5-17-18(6-16(13)22)29-11-28-17/h3,5-6,15,19H,2,4,8,11,26H2,1H3/t15-,19+/m0/s1InChIKey
SHTZBCISEYFJEY-HNAYVOBHSA-NSynonyms
303984-18-1(8R8aR)6amino8(6chloro13benzodioxol5yl)2ethyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino8(6chloro13benzodioxol5yl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R8aR)6amino8(6chlorobenzo(d)(13)dioxol5yl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
303984181
CCN1CC=C2(C@H)(C1)(C@@H)(c1cc3OCOc3cc1Cl)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3Cl)OCO4
InChI=1SC21H18ClN5O2c1227431214(723)20(26)21(9241025)19(15(12)827)1351718(616(13)22)29112817h3561519H2481126H21H3t1519+m0s1
STK005597
ZINC000004786144
ZINC04786144
ZINC4786144
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