Vitas-M small molecule compound

(5S,9aR,11E)-9a-(2-aminophenyl)-11-ethylidene-5,6,6a,8,9,9a-hexahydro-5,7-ethanopyrrolo[2,3-h]quinazoline-2(1H)-thione

Catalog ID
STL566529
SMILES C/C=C\1/CN2CC[C@]3([C@H]2C[C@@H]1c1cnc(=S)[nH]c31)c1ccccc1N

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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 C20H22N4S MW 350.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4S/c1-2-12-11-24-8-7-20(15-5-3-4-6-16(15)21)17(24)9-13(12)14-10-22-19(25)23-18(14)20/h2-6,10,13,17H,7-9,11,21H2,1H3,(H,22,23,25)/b12-2-/t13-,17-,20+/m0/s1
InChIKey
NAURKPLAIVYWHF-CWHILTOKSA-N
Synonyms

(1R8S9E14S)1(2aminophenyl)9ethylidene3511triazatetracyclo(65202701114)pentadeca2(7)5diene4thione
(5S6aS9aRE)9a(2aminophenyl)11ethylidene566a899ahexahydro57ethanopyrrolo(23h)quinazoline2(1H)thione
(5S9aR11E)9a(2aminophenyl)11ethylidene566a899ahexahydro57ethanopyrrolo(23h)quinazoline2(1H)thione
125430482
CC=C1CN2CC(C@)3((C@@H)2C(C@@H)1c1cnc(=S)(nH)c31)c1ccccc1N
InChI=1SC20H22N4Sc121211248720(15534616(15)21)17(24)913(12)14102219(25)2318(14)20h26101317H791121H21H3(H222325)b122t131720+m0s1
MFCD32652027
ZINC000524731869

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Available files

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